4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

C14H17ClN4OS — CID 116668462

IUPAC4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H17ClN4OS/c1-8(2)7-17-14-19-12(16)11(21-14)13(20)18-10-5-3-9(15)4-6-10/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAKNOSLNVYSXEGM-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.70
Rot. Bonds5

About 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668462) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668462
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H17ClN4OS/c1-8(2)7-17-14-19-12(16)11(21-14)13(20)18-10-5-3-9(15)4-6-10/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAKNOSLNVYSXEGM-UHFFFAOYSA-N
XLogP3.70
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668436
4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 116671334
4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116670035
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116668465
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 107855762
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665119
4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668816
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673706
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (CID 116668462) is 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is AKNOSLNVYSXEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8(2)7-17-14-19-12(16)11(21-14)13(20)18-10-5-3-9(15)4-6-10/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).