4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide

C14H24N4OS2 — CID 97241639

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
SMILESCS[C@@H](C)CNC(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C14H24N4OS2/c1-10(20-4)9-15-13(19)17-5-7-18(8-6-17)14-16-11(2)12(3)21-14/h10H,5-9H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeyKWMWROHZQPOTQD-JTQLQIEISA-N
MW328.51 g/mol
LogP2.34
Rot. Bonds4

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide (PubChem CID 97241639) has the molecular formula C14H24N4OS2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
PubChem CID97241639
Molecular FormulaC14H24N4OS2
Molecular Weight328.51 g/mol
Exact Mass328.14
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
SMILESCS[C@@H](C)CNC(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C14H24N4OS2/c1-10(20-4)9-15-13(19)17-5-7-18(8-6-17)14-16-11(2)12(3)21-14/h10H,5-9H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeyKWMWROHZQPOTQD-JTQLQIEISA-N
XLogP2.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
CID 154751107
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 71967644
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
CID 71910353
N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71844308
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 110741654
4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
CID 100750755
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110710972
3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
CID 146082032
6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122049016
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide (CID 97241639) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide is CS[C@@H](C)CNC(=O)N1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide?
The InChIKey is KWMWROHZQPOTQD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4OS2/c1-10(20-4)9-15-13(19)17-5-7-18(8-6-17)14-16-11(2)12(3)21-14/h10H,5-9H2,1-4H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide has a molecular weight of 328.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 97241639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).