N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride

C17H24ClN5OS — CID 119592066

IUPACN-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ncccn2)sc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C17H23N5OS.ClH/c1-11-14(24-17(21-11)15-19-8-5-9-20-15)16(23)22-13(10-18)12-6-3-2-4-7-12;/h5,8-9,12-13H,2-4,6-7,10,18H2,1H3,(H,22,23);1H
InChIKeyVEPBCMTYJTWASI-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.97
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119592066) has the molecular formula C17H24ClN5OS and a molecular weight of 381.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119592066
Molecular FormulaC17H24ClN5OS
Molecular Weight381.93 g/mol
Exact Mass381.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ncccn2)sc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C17H23N5OS.ClH/c1-11-14(24-17(21-11)15-19-8-5-9-20-15)16(23)22-13(10-18)12-6-3-2-4-7-12;/h5,8-9,12-13H,2-4,6-7,10,18H2,1H3,(H,22,23);1H
InChIKeyVEPBCMTYJTWASI-UHFFFAOYSA-N
XLogP2.97
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride with MolForge

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Related Compounds

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N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
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N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
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(2R)-3-methyl-2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
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4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
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N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
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N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 119592066) is N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride is Cc1nc(-c2ncccn2)sc1C(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is VEPBCMTYJTWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS.ClH/c1-11-14(24-17(21-11)15-19-8-5-9-20-15)16(23)22-13(10-18)12-6-3-2-4-7-12;/h5,8-9,12-13H,2-4,6-7,10,18H2,1H3,(H,22,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119592066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).