4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C14H12ClN5S2 — CID 133432670

IUPAC4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCn1c(Sc2cc(Cl)nc(C3CC3)n2)nnc1-c1cccs1
InChIInChI=1S/C14H12ClN5S2/c1-20-13(9-3-2-6-21-9)18-19-14(20)22-11-7-10(15)16-12(17-11)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyUMCFQBPDVJXAPJ-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.02
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 133432670) has the molecular formula C14H12ClN5S2 and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID133432670
Molecular FormulaC14H12ClN5S2
Molecular Weight349.87 g/mol
Exact Mass349.02
IUPAC Name4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCn1c(Sc2cc(Cl)nc(C3CC3)n2)nnc1-c1cccs1
InChIInChI=1S/C14H12ClN5S2/c1-20-13(9-3-2-6-21-9)18-19-14(20)22-11-7-10(15)16-12(17-11)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyUMCFQBPDVJXAPJ-UHFFFAOYSA-N
XLogP4.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole
CID 2811221
4-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-cyclopropylpyrimidine
CID 133432876
4,5-dibromo-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
CID 18707672
4-chloro-2-cyclopropyl-6-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133420883
4-chloro-2-cyclopropyl-6-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133420956
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
4-[5-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyltetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 133432543
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidine
CID 133467749
2-[(4-chlorophenyl)methyl]-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 39536637
N-cycloheptyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17450345

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 133432670) is 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Cn1c(Sc2cc(Cl)nc(C3CC3)n2)nnc1-c1cccs1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is UMCFQBPDVJXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5S2/c1-20-13(9-3-2-6-21-9)18-19-14(20)22-11-7-10(15)16-12(17-11)8-4-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 349.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 133432670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).