N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

C16H27N3OS — CID 119588404

IUPACN-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NC(CN)CC(C)C
InChIInChI=1S/C16H27N3OS/c1-10(2)8-13(9-17)19-15(20)14-11(3)18-16(21-14)12-6-4-5-7-12/h10,12-13H,4-9,17H2,1-3H3,(H,19,20)
InChIKeyCDTZGPYADMGQKH-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.21
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119588404) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119588404
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NC(CN)CC(C)C
InChIInChI=1S/C16H27N3OS/c1-10(2)8-13(9-17)19-15(20)14-11(3)18-16(21-14)12-6-4-5-7-12/h10,12-13H,4-9,17H2,1-3H3,(H,19,20)
InChIKeyCDTZGPYADMGQKH-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (CID 119588404) is N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCC2)sc1C(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CDTZGPYADMGQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(2)8-13(9-17)19-15(20)14-11(3)18-16(21-14)12-6-4-5-7-12/h10,12-13H,4-9,17H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119588404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).