(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone

C21H22N4OS — CID 95198377

IUPAC(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCCCc1nc(C(=O)N2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cs1
InChIInChI=1S/C21H22N4OS/c1-2-3-20-24-19(14-27-20)21(26)25-11-7-17(13-25)16-6-10-23-18(12-16)15-4-8-22-9-5-15/h4-6,8-10,12,14,17H,2-3,7,11,13H2,1H3/t17-/m0/s1
InChIKeyQONZCWOMKVABIN-KRWDZBQOSA-N
MW378.50 g/mol
LogP4.18
Rot. Bonds5

About (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone

(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone (PubChem CID 95198377) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone
PubChem CID95198377
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCCCc1nc(C(=O)N2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cs1
InChIInChI=1S/C21H22N4OS/c1-2-3-20-24-19(14-27-20)21(26)25-11-7-17(13-25)16-6-10-23-18(12-16)15-4-8-22-9-5-15/h4-6,8-10,12,14,17H,2-3,7,11,13H2,1H3/t17-/m0/s1
InChIKeyQONZCWOMKVABIN-KRWDZBQOSA-N
XLogP4.18
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10221761
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CID 10883539
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N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
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Pmid21757343C30
CID 56663548
N,N-diethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57402288
1-(2-pyridinylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
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2-(4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 1483697
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone
CID 42606220

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone (CID 95198377) is (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone is CCCc1nc(C(=O)N2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cs1.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone?
The InChIKey is QONZCWOMKVABIN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-2-3-20-24-19(14-27-20)21(26)25-11-7-17(13-25)16-6-10-23-18(12-16)15-4-8-22-9-5-15/h4-6,8-10,12,14,17H,2-3,7,11,13H2,1H3/t17-/m0/s1.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone?
(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone has a molecular weight of 378.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95198377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).