(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone

C9H7N3OS — CID 105085451

IUPAC(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
SMILESCc1nc(C(=O)c2cncnc2)cs1
InChIInChI=1S/C9H7N3OS/c1-6-12-8(4-14-6)9(13)7-2-10-5-11-3-7/h2-5H,1H3
InChIKeyROZMHAXSKNTYOW-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.47
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone

(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone (PubChem CID 105085451) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
PubChem CID105085451
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
SMILESCc1nc(C(=O)c2cncnc2)cs1
InChIInChI=1S/C9H7N3OS/c1-6-12-8(4-14-6)9(13)7-2-10-5-11-3-7/h2-5H,1H3
InChIKeyROZMHAXSKNTYOW-UHFFFAOYSA-N
XLogP1.47
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079830
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014
3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanenitrile
CID 82414227
2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130906323
(2,5-dimethylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130964926
2,2-difluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 131182360
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105101678
(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105130217

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone (CID 105085451) is (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone is Cc1nc(C(=O)c2cncnc2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone?
The InChIKey is ROZMHAXSKNTYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-6-12-8(4-14-6)9(13)7-2-10-5-11-3-7/h2-5H,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone?
(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone has a molecular weight of 205.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 105085451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).