[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C9H14N4OS — CID 116667406

IUPAC[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc(N)c(C(=O)N2CCCC2)s1
InChIInChI=1S/C9H14N4OS/c1-11-9-12-7(10)6(15-9)8(14)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,12)
InChIKeyBOPDZQXXWHFPNY-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.00
Rot. Bonds2

About [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 116667406) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID116667406
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc(N)c(C(=O)N2CCCC2)s1
InChIInChI=1S/C9H14N4OS/c1-11-9-12-7(10)6(15-9)8(14)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,12)
InChIKeyBOPDZQXXWHFPNY-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-piperazin-1-ylmethanone
CID 116662866
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 116667373
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667409
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 116670458
[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
(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]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 116667406) is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is CNc1nc(N)c(C(=O)N2CCCC2)s1.
What is the InChIKey of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BOPDZQXXWHFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-11-9-12-7(10)6(15-9)8(14)13-4-2-3-5-13/h2-5,10H2,1H3,(H,11,12).
What are the key properties of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 226.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 116667406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).