1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

C11H17N5O2S — CID 116667373

IUPAC1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
SMILESCNc1nc(N)c(C(=O)N2CCCC(C(N)=O)C2)s1
InChIInChI=1S/C11H17N5O2S/c1-14-11-15-8(12)7(19-11)10(18)16-4-2-3-6(5-16)9(13)17/h6H,2-5,12H2,1H3,(H2,13,17)(H,14,15)
InChIKeyWCNHEWXDGMPTJM-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.10
Rot. Bonds3

About 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 116667373) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID116667373
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
SMILESCNc1nc(N)c(C(=O)N2CCCC(C(N)=O)C2)s1
InChIInChI=1S/C11H17N5O2S/c1-14-11-15-8(12)7(19-11)10(18)16-4-2-3-6(5-16)9(13)17/h6H,2-5,12H2,1H3,(H2,13,17)(H,14,15)
InChIKeyWCNHEWXDGMPTJM-UHFFFAOYSA-N
XLogP0.10
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-tert-butylpyrrolidin-1-yl)methanone
CID 116672505
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone
CID 116664218
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 116671404
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
6-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 116671806
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide (CID 116667373) is 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide is CNc1nc(N)c(C(=O)N2CCCC(C(N)=O)C2)s1.
What is the InChIKey of 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is WCNHEWXDGMPTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-14-11-15-8(12)7(19-11)10(18)16-4-2-3-6(5-16)9(13)17/h6H,2-5,12H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 116667373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).