N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C18H30N4OS — CID 91828992

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(N3CCN(C)CC3)CCCC2)cs1
InChIInChI=1S/C18H30N4OS/c1-14(2)17-20-15(12-24-17)16(23)19-13-18(6-4-5-7-18)22-10-8-21(3)9-11-22/h12,14H,4-11,13H2,1-3H3,(H,19,23)
InChIKeySHNWGTDRWPUIDH-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.56
Rot. Bonds5

About N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 91828992) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID91828992
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(N3CCN(C)CC3)CCCC2)cs1
InChIInChI=1S/C18H30N4OS/c1-14(2)17-20-15(12-24-17)16(23)19-13-18(6-4-5-7-18)22-10-8-21(3)9-11-22/h12,14H,4-11,13H2,1-3H3,(H,19,23)
InChIKeySHNWGTDRWPUIDH-UHFFFAOYSA-N
XLogP2.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 91828992) is N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)NCC2(N3CCN(C)CC3)CCCC2)cs1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SHNWGTDRWPUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-14(2)17-20-15(12-24-17)16(23)19-13-18(6-4-5-7-18)22-10-8-21(3)9-11-22/h12,14H,4-11,13H2,1-3H3,(H,19,23).
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91828992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).