N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C13H17N3O2S — CID 119997754

IUPACN-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCC(C)CN
InChIInChI=1S/C13H17N3O2S/c1-8(6-14)7-15-12(17)11-9(2)19-13(16-11)10-4-3-5-18-10/h3-5,8H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyKUOPSECCMARAJI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.04
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 119997754) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID119997754
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCC(C)CN
InChIInChI=1S/C13H17N3O2S/c1-8(6-14)7-15-12(17)11-9(2)19-13(16-11)10-4-3-5-18-10/h3-5,8H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyKUOPSECCMARAJI-UHFFFAOYSA-N
XLogP2.04
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
2-(furan-2-yl)-N-(4-hydroxypentyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 107299887
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51934328
2-(furan-2-yl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 78956621
N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134054764
2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 115735226
2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 111597345
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544577
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
2-(furan-2-yl)-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 115630153

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 119997754) is N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KUOPSECCMARAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(6-14)7-15-12(17)11-9(2)19-13(16-11)10-4-3-5-18-10/h3-5,8H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119997754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).