3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

C16H13F3N4OS — CID 58974633

IUPAC3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
SMILESCc1nc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)sc1C
InChIInChI=1S/C16H13F3N4OS/c1-8-9(2)25-14(21-8)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(24)7-11/h3-7,24H,1-2H3,(H,20,22,23)
InChIKeySJQXASLGZYWUTI-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.68
Rot. Bonds3

About 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (PubChem CID 58974633) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
PubChem CID58974633
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
SMILESCc1nc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)sc1C
InChIInChI=1S/C16H13F3N4OS/c1-8-9(2)25-14(21-8)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(24)7-11/h3-7,24H,1-2H3,(H,20,22,23)
InChIKeySJQXASLGZYWUTI-UHFFFAOYSA-N
XLogP4.68
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol with MolForge

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Related Compounds

3-(4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino)-Phenol
CID 447959
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22
CID 6539289
4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]phenol
CID 6539291
2-[(3-Hydroxyphenyl)amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
CID 44253187
4-[2-(Pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972705
3-(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-ylamino)-phenol
CID 11289869
(2-(2-(3-Methoxy-5-(trifluoromethyl)phenylamino)pyrimidin-4-yl)thiazol-4-yl)methanol
CID 44589514
3-(4-(4-(Hydroxymethyl)thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenol
CID 44589515
N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine
CID 44589516
3-[(4-Pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 704347
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 23
CID 6539290
3-(3-(4-(Thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenoxy)propan-1-ol
CID 25169256

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (CID 58974633) is 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is Cc1nc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)sc1C.
What is the InChIKey of 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The InChIKey is SJQXASLGZYWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-8-9(2)25-14(21-8)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(24)7-11/h3-7,24H,1-2H3,(H,20,22,23).
What are the key properties of 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol has a molecular weight of 366.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 58974633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).