[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H15N5OS — CID 110258834

IUPAC[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC2c2csc(N)n2)cn1
InChIInChI=1S/C12H15N5OS/c1-16-6-8(5-14-16)11(18)17-4-2-3-10(17)9-7-19-12(13)15-9/h5-7,10H,2-4H2,1H3,(H2,13,15)
InChIKeyLHWSCAQQCTUKMR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.44
Rot. Bonds2

About [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110258834) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110258834
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC2c2csc(N)n2)cn1
InChIInChI=1S/C12H15N5OS/c1-16-6-8(5-14-16)11(18)17-4-2-3-10(17)9-7-19-12(13)15-9/h5-7,10H,2-4H2,1H3,(H2,13,15)
InChIKeyLHWSCAQQCTUKMR-UHFFFAOYSA-N
XLogP1.44
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 125020922
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 127244916
[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95845828
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110258834) is [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC2c2csc(N)n2)cn1.
What is the InChIKey of [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LHWSCAQQCTUKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-16-6-8(5-14-16)11(18)17-4-2-3-10(17)9-7-19-12(13)15-9/h5-7,10H,2-4H2,1H3,(H2,13,15).
What are the key properties of [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110258834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).