4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116665988

IUPAC4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC2CCC(C)CC2)s1
InChIInChI=1S/C15H26N4OS/c1-3-8-17-15-19-13(16)12(21-15)14(20)18-9-11-6-4-10(2)5-7-11/h10-11H,3-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLDZYZVLUNYCWHZ-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.10
Rot. Bonds6

About 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116665988) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116665988
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC2CCC(C)CC2)s1
InChIInChI=1S/C15H26N4OS/c1-3-8-17-15-19-13(16)12(21-15)14(20)18-9-11-6-4-10(2)5-7-11/h10-11H,3-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLDZYZVLUNYCWHZ-UHFFFAOYSA-N
XLogP3.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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-[(3-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106138867
4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663544
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-N-(3,5-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667071
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116664744

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116665988) is 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCC2CCC(C)CC2)s1.
What is the InChIKey of 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LDZYZVLUNYCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-8-17-15-19-13(16)12(21-15)14(20)18-9-11-6-4-10(2)5-7-11/h10-11H,3-9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).