(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol

C18H15ClN4OS — CID 176894906

IUPAC(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol
SMILESCN1C=C[C@@](O)(c2cccc(-c3nc(-c4ccnc(Cl)n4)cs3)c2)C1
InChIInChI=1S/C18H15ClN4OS/c1-23-8-6-18(24,11-23)13-4-2-3-12(9-13)16-21-15(10-25-16)14-5-7-20-17(19)22-14/h2-10,24H,11H2,1H3/t18-/m0/s1
InChIKeyQHBURCKBFAKAQY-SFHVURJKSA-N
MW370.87 g/mol
LogP3.57
Rot. Bonds3

About (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol

(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol (PubChem CID 176894906) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol
PubChem CID176894906
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol
SMILESCN1C=C[C@@](O)(c2cccc(-c3nc(-c4ccnc(Cl)n4)cs3)c2)C1
InChIInChI=1S/C18H15ClN4OS/c1-23-8-6-18(24,11-23)13-4-2-3-12(9-13)16-21-15(10-25-16)14-5-7-20-17(19)22-14/h2-10,24H,11H2,1H3/t18-/m0/s1
InChIKeyQHBURCKBFAKAQY-SFHVURJKSA-N
XLogP3.57
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(5-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574376
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573842
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574297
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573991
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-1,3-oxazol-5-yl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170405260
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-(3-methylsulfonylpropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573725
(3R)-3-hydroxy-3-[3-[4-[2-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-1-methylpyrrolidin-2-one
CID 177281706
3-hydroxy-1-methyl-3-[3-[4-[2-[(5-methylpyrimidin-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574205
4-[[4-[2-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]amino]cyclohexane-1-carbonitrile
CID 170574096
3-hydroxy-1-methyl-3-[3-[4-[2-[2-(1-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573741
3-hydroxy-1-methyl-3-[3-[4-[2-[1-(3-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574034
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573920

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol?
The IUPAC name of (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol (CID 176894906) is (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol.
What is the SMILES notation for (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol?
The canonical SMILES for (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol is CN1C=C[C@@](O)(c2cccc(-c3nc(-c4ccnc(Cl)n4)cs3)c2)C1.
What is the InChIKey of (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol?
The InChIKey is QHBURCKBFAKAQY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-23-8-6-18(24,11-23)13-4-2-3-12(9-13)16-21-15(10-25-16)14-5-7-20-17(19)22-14/h2-10,24H,11H2,1H3/t18-/m0/s1.
What are the key properties of (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol?
(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol has a molecular weight of 370.87 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol is sourced from PubChem (CID 176894906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).