N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C16H22ClN3OS2 — CID 119658120

IUPACN-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C16H22ClN3OS2/c1-9(2)11(18)7-8-20(4)16(21)14-10(3)19-15(23-14)12-5-6-13(17)22-12/h5-6,9,11H,7-8,18H2,1-4H3
InChIKeyOTHGHXCGLALMSY-UHFFFAOYSA-N
MW371.96 g/mol
LogP4.28
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 119658120) has the molecular formula C16H22ClN3OS2 and a molecular weight of 371.96 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID119658120
Molecular FormulaC16H22ClN3OS2
Molecular Weight371.96 g/mol
Exact Mass371.09
IUPAC NameN-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C16H22ClN3OS2/c1-9(2)11(18)7-8-20(4)16(21)14-10(3)19-15(23-14)12-5-6-13(17)22-12/h5-6,9,11H,7-8,18H2,1-4H3
InChIKeyOTHGHXCGLALMSY-UHFFFAOYSA-N
XLogP4.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119657908
2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205644
N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide
CID 119658948
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98465541
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338611
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119660562
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476
N-[1-(aminomethyl)cyclopentyl]-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119565568
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
2-(5-chlorothiophen-2-yl)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 167810583

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 119658120) is N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OTHGHXCGLALMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3OS2/c1-9(2)11(18)7-8-20(4)16(21)14-10(3)19-15(23-14)12-5-6-13(17)22-12/h5-6,9,11H,7-8,18H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.96 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119658120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).