1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide

C18H23N5O3S — CID 131691395

IUPAC1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide
SMILESCc1csc(C(=O)N2CCC3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)c1
InChIInChI=1S/C18H23N5O3S/c1-11(2)19-16(24)15-21-20-14-7-26-18(10-23(14)15)4-5-22(9-18)17(25)13-6-12(3)8-27-13/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,19,24)
InChIKeyFHANAVHVSJWWKB-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.60
Rot. Bonds3

About 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide

1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide (PubChem CID 131691395) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide.

Molecular Properties

Compound Name1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide
PubChem CID131691395
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide
SMILESCc1csc(C(=O)N2CCC3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)c1
InChIInChI=1S/C18H23N5O3S/c1-11(2)19-16(24)15-21-20-14-7-26-18(10-23(14)15)4-5-22(9-18)17(25)13-6-12(3)8-27-13/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,19,24)
InChIKeyFHANAVHVSJWWKB-UHFFFAOYSA-N
XLogP1.60
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-methylthiophene-2-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999528
9-(4-methylthiophene-2-carbonyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131696947
[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 110124950
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 131691635
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110114466
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
2-ethyl-N-[[1'-(thiophene-2-carbonyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]pyrazole-3-carboxamide
CID 146069796
(3,3-dimethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107032413
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122336406
(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131672643
2-methyl-1'-(3-pyrazol-1-ylbenzoyl)spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165425555
N-(2-methoxyethyl)-1'-(2-methyl-1,3-thiazole-4-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide;oxalic acid
CID 155870482

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide?
The IUPAC name of 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide (CID 131691395) is 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide.
What is the SMILES notation for 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide?
The canonical SMILES for 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide is Cc1csc(C(=O)N2CCC3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)c1.
What is the InChIKey of 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide?
The InChIKey is FHANAVHVSJWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11(2)19-16(24)15-21-20-14-7-26-18(10-23(14)15)4-5-22(9-18)17(25)13-6-12(3)8-27-13/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,19,24).
What are the key properties of 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide?
1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylthiophene-2-carbonyl)-N-propan-2-ylspiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-carboxamide is sourced from PubChem (CID 131691395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).