N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C11H19N3OS — CID 120830806

IUPACN-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1csc(C(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-7(2)11-14-9(6-16-11)10(15)13-5-8(3)12-4/h6-8,12H,5H2,1-4H3,(H,13,15)
InChIKeyGUZBFUXCYHSMSB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 120830806) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID120830806
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1csc(C(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-7(2)11-14-9(6-16-11)10(15)13-5-8(3)12-4/h6-8,12H,5H2,1-4H3,(H,13,15)
InChIKeyGUZBFUXCYHSMSB-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
2-(4-methoxyanilino)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120830754
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 120830806) is N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CNC(C)CNC(=O)c1csc(C(C)C)n1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GUZBFUXCYHSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)11-14-9(6-16-11)10(15)13-5-8(3)12-4/h6-8,12H,5H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120830806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).