N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide

C18H22N4O2S — CID 16802254

IUPACN-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C)c(C(=O)NC3CCCC3)s2)c1
InChIInChI=1S/C18H22N4O2S/c1-11-6-5-9-14(10-11)21-17(24)22-18-19-12(2)15(25-18)16(23)20-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,23)(H2,19,21,22,24)
InChIKeyKQRUEPGGDVMVAW-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.08
Rot. Bonds4

About N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide

N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16802254) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
PubChem CID16802254
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C)c(C(=O)NC3CCCC3)s2)c1
InChIInChI=1S/C18H22N4O2S/c1-11-6-5-9-14(10-11)21-17(24)22-18-19-12(2)15(25-18)16(23)20-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,23)(H2,19,21,22,24)
InChIKeyKQRUEPGGDVMVAW-UHFFFAOYSA-N
XLogP4.08
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (CID 16802254) is N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)NC3CCCC3)s2)c1.
What is the InChIKey of N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is KQRUEPGGDVMVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-6-5-9-14(10-11)21-17(24)22-18-19-12(2)15(25-18)16(23)20-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,23)(H2,19,21,22,24).
What are the key properties of N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16802254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).