1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide

C15H24N4O2S — CID 71868987

IUPAC1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide
SMILESCc1csc(C(C)(C)NCC(=O)N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C15H24N4O2S/c1-10-9-22-14(18-10)15(2,3)17-7-12(20)19-6-4-5-11(8-19)13(16)21/h9,11,17H,4-8H2,1-3H3,(H2,16,21)
InChIKeyDNIZRBLCEVCWAF-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide

1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide (PubChem CID 71868987) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide
PubChem CID71868987
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide
SMILESCc1csc(C(C)(C)NCC(=O)N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C15H24N4O2S/c1-10-9-22-14(18-10)15(2,3)17-7-12(20)19-6-4-5-11(8-19)13(16)21/h9,11,17H,4-8H2,1-3H3,(H2,16,21)
InChIKeyDNIZRBLCEVCWAF-UHFFFAOYSA-N
XLogP1.00
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide (CID 71868987) is 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide is Cc1csc(C(C)(C)NCC(=O)N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide?
The InChIKey is DNIZRBLCEVCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10-9-22-14(18-10)15(2,3)17-7-12(20)19-6-4-5-11(8-19)13(16)21/h9,11,17H,4-8H2,1-3H3,(H2,16,21).
What are the key properties of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide?
1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 71868987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).