4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole

C13H11N3S2 — CID 2744269

IUPAC4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nccc(-c2sc(-c3cccs3)nc2C)n1
InChIInChI=1S/C13H11N3S2/c1-8-12(10-5-6-14-9(2)16-10)18-13(15-8)11-4-3-7-17-11/h3-7H,1-2H3
InChIKeyXNBZHZUOHMKIBH-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.95
Rot. Bonds2

About 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole

4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 2744269) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID2744269
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nccc(-c2sc(-c3cccs3)nc2C)n1
InChIInChI=1S/C13H11N3S2/c1-8-12(10-5-6-14-9(2)16-10)18-13(15-8)11-4-3-7-17-11/h3-7H,1-2H3
InChIKeyXNBZHZUOHMKIBH-UHFFFAOYSA-N
XLogP3.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
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
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
2-Chloro-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 44449565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole (CID 2744269) is 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole is Cc1nccc(-c2sc(-c3cccs3)nc2C)n1.
What is the InChIKey of 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is XNBZHZUOHMKIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c1-8-12(10-5-6-14-9(2)16-10)18-13(15-8)11-4-3-7-17-11/h3-7H,1-2H3.
What are the key properties of 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole?
4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 273.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2744269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).