1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one

C15H18N4OS — CID 110270541

IUPAC1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1csc(Nc2ccccn2)n1
InChIInChI=1S/C15H18N4OS/c1-2-14(20)19-9-5-6-12(19)11-10-21-15(17-11)18-13-7-3-4-8-16-13/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,16,17,18)
InChIKeyPVTUAEDVNPZUDS-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one

1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110270541) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110270541
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1csc(Nc2ccccn2)n1
InChIInChI=1S/C15H18N4OS/c1-2-14(20)19-9-5-6-12(19)11-10-21-15(17-11)18-13-7-3-4-8-16-13/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,16,17,18)
InChIKeyPVTUAEDVNPZUDS-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 132771012
1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844568
2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
1-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 122479789
2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol
CID 95823889
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
CID 95844576
2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 171687472

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one (CID 110270541) is 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1c1csc(Nc2ccccn2)n1.
What is the InChIKey of 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is PVTUAEDVNPZUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-14(20)19-9-5-6-12(19)11-10-21-15(17-11)18-13-7-3-4-8-16-13/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,16,17,18).
What are the key properties of 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 302.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110270541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).