5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole

C10H9ClFN3S — CID 164588484

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2nc(Cl)ncc2F)s1
InChIInChI=1S/C10H9ClFN3S/c1-5(2)9-13-4-7(16-9)8-6(12)3-14-10(11)15-8/h3-5H,1-2H3
InChIKeyNZRYMNJVQQJMKD-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.52
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole

5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 164588484) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID164588484
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2nc(Cl)ncc2F)s1
InChIInChI=1S/C10H9ClFN3S/c1-5(2)9-13-4-7(16-9)8-6(12)3-14-10(11)15-8/h3-5H,1-2H3
InChIKeyNZRYMNJVQQJMKD-UHFFFAOYSA-N
XLogP3.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
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
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 6539284
4-(dimethyl-1,3-thiazol-5-yl)-N-methylpyrimidin-2-amine
CID 6539278
Amino pyrimidine, 6
CID 2744836
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
CID 6539279
5-(2-cyclopropylpyrimidin-4-yl)-N-propylthiazol-2-amine
CID 52947401
4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
CID 164622773
5-(6-Chloro-2-methylpyrimidin-4-yl)thiazole
CID 45788106
5-(2-Aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-amine
CID 155315751
5-[2-(1-Fluoro-1-methyl-ethyl)-pyrimidin-4-yl]-4-methyl-thiazol-2-ylamine
CID 58095737

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole (CID 164588484) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(-c2nc(Cl)ncc2F)s1.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is NZRYMNJVQQJMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c1-5(2)9-13-4-7(16-9)8-6(12)3-14-10(11)15-8/h3-5H,1-2H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole?
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 257.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 164588484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).