4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116665405

IUPAC4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(CC)C2CCCCC2)s1
InChIInChI=1S/C15H26N4OS/c1-3-11(10-8-6-5-7-9-10)18-14(20)12-13(16)19-15(21-12)17-4-2/h10-11H,3-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXXBDIEXPBCCFSU-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.25
Rot. Bonds6

About 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116665405) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116665405
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(CC)C2CCCCC2)s1
InChIInChI=1S/C15H26N4OS/c1-3-11(10-8-6-5-7-9-10)18-14(20)12-13(16)19-15(21-12)17-4-2/h10-11H,3-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXXBDIEXPBCCFSU-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545
4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116671812
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358518
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667273
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 107868763
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 116665405) is 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NC(CC)C2CCCCC2)s1.
What is the InChIKey of 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is XXBDIEXPBCCFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-11(10-8-6-5-7-9-10)18-14(20)12-13(16)19-15(21-12)17-4-2/h10-11H,3-9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).