(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C18H17N5OS — CID 47065787

IUPAC(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C18H17N5OS/c1-12-15(25-17(22-12)16-20-7-3-8-21-16)18(24)23-11-2-4-14(23)13-5-9-19-10-6-13/h3,5-10,14H,2,4,11H2,1H3
InChIKeyDAPMSSAMSIIIFU-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.28
Rot. Bonds3

About (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 47065787) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID47065787
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C18H17N5OS/c1-12-15(25-17(22-12)16-20-7-3-8-21-16)18(24)23-11-2-4-14(23)13-5-9-19-10-6-13/h3,5-10,14H,2,4,11H2,1H3
InChIKeyDAPMSSAMSIIIFU-UHFFFAOYSA-N
XLogP3.28
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764339
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 94637457
(3-methyl-1-benzothiophen-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24670295
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
CID 154820006
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 46421205
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120740905
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035619
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 47065787) is (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is Cc1nc(-c2ncccn2)sc1C(=O)N1CCCC1c1ccncc1.
What is the InChIKey of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is DAPMSSAMSIIIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-15(25-17(22-12)16-20-7-3-8-21-16)18(24)23-11-2-4-14(23)13-5-9-19-10-6-13/h3,5-10,14H,2,4,11H2,1H3.
What are the key properties of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 351.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 47065787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).