1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C18H20N6OS — CID 110093556

IUPAC1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(Nc2nccs2)cc(C2CCN(C(=O)Cn3cccn3)C2)n1
InChIInChI=1S/C18H20N6OS/c1-13-9-15(22-18-19-5-8-26-18)10-16(21-13)14-3-7-23(11-14)17(25)12-24-6-2-4-20-24/h2,4-6,8-10,14H,3,7,11-12H2,1H3,(H,19,21,22)
InChIKeyBQHVLNOTZQFSOG-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.80
Rot. Bonds5

About 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110093556) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110093556
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(Nc2nccs2)cc(C2CCN(C(=O)Cn3cccn3)C2)n1
InChIInChI=1S/C18H20N6OS/c1-13-9-15(22-18-19-5-8-26-18)10-16(21-13)14-3-7-23(11-14)17(25)12-24-6-2-4-20-24/h2,4-6,8-10,14H,3,7,11-12H2,1H3,(H,19,21,22)
InChIKeyBQHVLNOTZQFSOG-UHFFFAOYSA-N
XLogP2.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone with MolForge

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Related Compounds

(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124941665
N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093562
[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093546
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494
2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 155985337
N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093545
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124952390
1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023472
[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 95832670
2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95832841

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 110093556) is 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cc(Nc2nccs2)cc(C2CCN(C(=O)Cn3cccn3)C2)n1.
What is the InChIKey of 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is BQHVLNOTZQFSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-9-15(22-18-19-5-8-26-18)10-16(21-13)14-3-7-23(11-14)17(25)12-24-6-2-4-20-24/h2,4-6,8-10,14H,3,7,11-12H2,1H3,(H,19,21,22).
What are the key properties of 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 368.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110093556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).