(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol

C19H21N5OS — CID 141308920

IUPAC(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol
SMILESCc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@]3(O)CCNC3)s2)c1
InChIInChI=1S/C19H21N5OS/c1-12-7-14(9-15(8-12)24-18-21-5-3-13(2)23-18)16-10-22-17(26-16)19(25)4-6-20-11-19/h3,5,7-10,20,25H,4,6,11H2,1-2H3,(H,21,23,24)/t19-/m0/s1
InChIKeyQWNBHRNENREBIN-IBGZPJMESA-N
MW367.48 g/mol
LogP3.14
Rot. Bonds4

About (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol

(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol (PubChem CID 141308920) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol
PubChem CID141308920
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol
SMILESCc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@]3(O)CCNC3)s2)c1
InChIInChI=1S/C19H21N5OS/c1-12-7-14(9-15(8-12)24-18-21-5-3-13(2)23-18)16-10-22-17(26-16)19(25)4-6-20-11-19/h3,5,7-10,20,25H,4,6,11H2,1-2H3,(H,21,23,24)/t19-/m0/s1
InChIKeyQWNBHRNENREBIN-IBGZPJMESA-N
XLogP3.14
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[3-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]azepan-4-ol
CID 67430566
(1R,2S,4S)-4-hydroxy-2-methyl-4-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67432194
4-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]adamantane-1,4-diol
CID 67432197
1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 67433915
2-(4-fluorophenyl)-4-hydroxy-4-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 77254927
(4S)-4-[5-[3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]azepan-4-ol
CID 67258398
4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-1,1-dioxothian-4-ol
CID 67258706
1-methyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 122678424
(1R,2R,4R,5R)-4-hydroxy-2,5-dimethyl-4-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 70892404
1-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 58456389
(1R,2S,4S)-4-[5-[3-[(4-ethylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxy-2-methylcyclohexane-1-carboxylic acid
CID 70926506
4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 67432392

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol (CID 141308920) is (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol is Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@]3(O)CCNC3)s2)c1.
What is the InChIKey of (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The InChIKey is QWNBHRNENREBIN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-7-14(9-15(8-12)24-18-21-5-3-13(2)23-18)16-10-22-17(26-16)19(25)4-6-20-11-19/h3,5,7-10,20,25H,4,6,11H2,1-2H3,(H,21,23,24)/t19-/m0/s1.
What are the key properties of (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol?
(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol has a molecular weight of 367.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 141308920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).