2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine

C13H9F3N4S — CID 36574929

IUPAC2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(Nc3nccc(C(F)(F)F)n3)cc2s1
InChIInChI=1S/C13H9F3N4S/c1-7-18-9-3-2-8(6-10(9)21-7)19-12-17-5-4-11(20-12)13(14,15)16/h2-6H,1H3,(H,17,19,20)
InChIKeyOQESRAWOOHCQNU-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.16
Rot. Bonds2

About 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine

2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine (PubChem CID 36574929) has the molecular formula C13H9F3N4S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
PubChem CID36574929
Molecular FormulaC13H9F3N4S
Molecular Weight310.30 g/mol
Exact Mass310.05
IUPAC Name2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(Nc3nccc(C(F)(F)F)n3)cc2s1
InChIInChI=1S/C13H9F3N4S/c1-7-18-9-3-2-8(6-10(9)21-7)19-12-17-5-4-11(20-12)13(14,15)16/h2-6H,1H3,(H,17,19,20)
InChIKeyOQESRAWOOHCQNU-UHFFFAOYSA-N
XLogP4.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35
CID 6539300
N'-[4-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N,N-Dimethylbenzene-1,4-Diamine
CID 6539304
4U5Bza9NL4
CID 9813424
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
1-(3-Fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138112
N1-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-yl)benzene-1,4-diamine
CID 46830767
N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
CID 686075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine (CID 36574929) is 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine is Cc1nc2ccc(Nc3nccc(C(F)(F)F)n3)cc2s1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
The InChIKey is OQESRAWOOHCQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S/c1-7-18-9-3-2-8(6-10(9)21-7)19-12-17-5-4-11(20-12)13(14,15)16/h2-6H,1H3,(H,17,19,20).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine has a molecular weight of 310.30 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 36574929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).