4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide

C15H24N4OS — CID 116667333

IUPAC4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
SMILESCC1CCCCCC1NC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C15H24N4OS/c1-9-5-3-2-4-6-11(9)18-14(20)12-13(16)19-15(21-12)17-10-7-8-10/h9-11H,2-8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyZEJYSJRNLOSDOR-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide (PubChem CID 116667333) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
PubChem CID116667333
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
SMILESCC1CCCCCC1NC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C15H24N4OS/c1-9-5-3-2-4-6-11(9)18-14(20)12-13(16)19-15(21-12)17-10-7-8-10/h9-11H,2-8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyZEJYSJRNLOSDOR-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-(cyclobutylamino)-1,3-thiazole-5-carboxamide
CID 116666925
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663067
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668414
4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663074
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106368446
4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 114633060
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114598037

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide (CID 116667333) is 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide is CC1CCCCCC1NC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZEJYSJRNLOSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-9-5-3-2-4-6-11(9)18-14(20)12-13(16)19-15(21-12)17-10-7-8-10/h9-11H,2-8,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).