1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide

C13H17N5OS2 — CID 103381037

IUPAC1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1nc(-c2c(N)nsc2N2CCCC(C(N)=O)C2)cs1
InChIInChI=1S/C13H17N5OS2/c1-7-16-9(6-20-7)10-11(14)17-21-13(10)18-4-2-3-8(5-18)12(15)19/h6,8H,2-5H2,1H3,(H2,14,17)(H2,15,19)
InChIKeyOIUIMXLCLJPTNK-UHFFFAOYSA-N
MW323.45 g/mol
LogP1.86
Rot. Bonds3

About 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide

1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 103381037) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
PubChem CID103381037
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1nc(-c2c(N)nsc2N2CCCC(C(N)=O)C2)cs1
InChIInChI=1S/C13H17N5OS2/c1-7-16-9(6-20-7)10-11(14)17-21-13(10)18-4-2-3-8(5-18)12(15)19/h6,8H,2-5H2,1H3,(H2,14,17)(H2,15,19)
InChIKeyOIUIMXLCLJPTNK-UHFFFAOYSA-N
XLogP1.86
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384750
[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
CID 103383882
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421
4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103349281
[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
CID 103384839
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide (CID 103381037) is 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide is Cc1nc(-c2c(N)nsc2N2CCCC(C(N)=O)C2)cs1.
What is the InChIKey of 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is OIUIMXLCLJPTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-7-16-9(6-20-7)10-11(14)17-21-13(10)18-4-2-3-8(5-18)12(15)19/h6,8H,2-5H2,1H3,(H2,14,17)(H2,15,19).
What are the key properties of 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide?
1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 323.45 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 103381037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).