4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide

C13H19N3O2S — CID 66264021

IUPAC4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
SMILESCC1(C(=O)Nc2nc3c(s2)CCCC3)COCC1N
InChIInChI=1S/C13H19N3O2S/c1-13(7-18-6-10(13)14)11(17)16-12-15-8-4-2-3-5-9(8)19-12/h10H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyOBKNARRCPSRPQX-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.32
Rot. Bonds2

About 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide

4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide (PubChem CID 66264021) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
PubChem CID66264021
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
SMILESCC1(C(=O)Nc2nc3c(s2)CCCC3)COCC1N
InChIInChI=1S/C13H19N3O2S/c1-13(7-18-6-10(13)14)11(17)16-12-15-8-4-2-3-5-9(8)19-12/h10H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyOBKNARRCPSRPQX-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 114996558
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)oxolane-3-carboxamide
CID 64893407
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
CID 56675559
(2R,5S)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945089
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 7263648
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
3-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119743805

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide (CID 66264021) is 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide is CC1(C(=O)Nc2nc3c(s2)CCCC3)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is OBKNARRCPSRPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-13(7-18-6-10(13)14)11(17)16-12-15-8-4-2-3-5-9(8)19-12/h10H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66264021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).