N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide

C13H21N5O2S — CID 102737151

IUPACN-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCNc1nc(N)c(C(=O)N2CCC(CNC(C)=O)CC2)s1
InChIInChI=1S/C13H21N5O2S/c1-8(19)16-7-9-3-5-18(6-4-9)12(20)10-11(14)17-13(15-2)21-10/h9H,3-7,14H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyKZRWOFHRGYKCLE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.76
Rot. Bonds4

About N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102737151) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID102737151
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCNc1nc(N)c(C(=O)N2CCC(CNC(C)=O)CC2)s1
InChIInChI=1S/C13H21N5O2S/c1-8(19)16-7-9-3-5-18(6-4-9)12(20)10-11(14)17-13(15-2)21-10/h9H,3-7,14H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyKZRWOFHRGYKCLE-UHFFFAOYSA-N
XLogP0.76
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide (CID 102737151) is N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide is CNc1nc(N)c(C(=O)N2CCC(CNC(C)=O)CC2)s1.
What is the InChIKey of N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is KZRWOFHRGYKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-8(19)16-7-9-3-5-18(6-4-9)12(20)10-11(14)17-13(15-2)21-10/h9H,3-7,14H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).