4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116668414

IUPAC4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCCC(C)C2C)s1
InChIInChI=1S/C15H26N4OS/c1-4-8-17-15-19-13(16)12(21-15)14(20)18-11-7-5-6-9(2)10(11)3/h9-11H,4-8,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPLSOTFYNNDKSLF-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.10
Rot. Bonds5

About 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668414) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668414
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCCC(C)C2C)s1
InChIInChI=1S/C15H26N4OS/c1-4-8-17-15-19-13(16)12(21-15)14(20)18-11-7-5-6-9(2)10(11)3/h9-11H,4-8,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPLSOTFYNNDKSLF-UHFFFAOYSA-N
XLogP3.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664088
4-amino-N-(2-methoxycyclopentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116665167
4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666460
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663544
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-N-[(3-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106138867
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116668414) is 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC2CCCC(C)C2C)s1.
What is the InChIKey of 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is PLSOTFYNNDKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-8-17-15-19-13(16)12(21-15)14(20)18-11-7-5-6-9(2)10(11)3/h9-11H,4-8,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).