N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

C18H24N2O3S — CID 86971621

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)15-12(6-4-9-23-15)10-19-16(21)14-11-20-17(24-14)13-7-5-8-22-13/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3,(H,19,21)
InChIKeyFEOIXCHZWVNCIB-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.97
Rot. Bonds4

About N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 86971621) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID86971621
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)15-12(6-4-9-23-15)10-19-16(21)14-11-20-17(24-14)13-7-5-8-22-13/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3,(H,19,21)
InChIKeyFEOIXCHZWVNCIB-UHFFFAOYSA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99809033
N-[2-(aminomethyl)cyclopentyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 119602827
2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187621
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019
1-[(2-tert-butyloxan-3-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111624294
N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86972547
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
N-[3-[[(2-tert-butyloxan-3-yl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86972462
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
2-benzyl-N-[(2-tert-butyloxan-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86971611

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (CID 86971621) is N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is CC(C)(C)C1OCCCC1CNC(=O)c1cnc(-c2ccco2)s1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FEOIXCHZWVNCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(2,3)15-12(6-4-9-23-15)10-19-16(21)14-11-20-17(24-14)13-7-5-8-22-13/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86971621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).