4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile

C11H16N2S2 — CID 82432148

IUPAC4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
SMILESCCCSCc1nc(CCC)c(C#N)s1
InChIInChI=1S/C11H16N2S2/c1-3-5-9-10(7-12)15-11(13-9)8-14-6-4-2/h3-6,8H2,1-2H3
InChIKeyKYDXJWLDUKIRGS-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.61
Rot. Bonds6

About 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile

4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82432148) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
PubChem CID82432148
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
SMILESCCCSCc1nc(CCC)c(C#N)s1
InChIInChI=1S/C11H16N2S2/c1-3-5-9-10(7-12)15-11(13-9)8-14-6-4-2/h3-6,8H2,1-2H3
InChIKeyKYDXJWLDUKIRGS-UHFFFAOYSA-N
XLogP3.61
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile 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

4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82429320
4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82440714
2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
N-[[4-propyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82432156
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
N-[[4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82429324
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82433394
5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
CID 82436791
N-methyl-2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65128529
N-[[5-phenyl-2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65128657

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile (CID 82432148) is 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile is CCCSCc1nc(CCC)c(C#N)s1.
What is the InChIKey of 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is KYDXJWLDUKIRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-3-5-9-10(7-12)15-11(13-9)8-14-6-4-2/h3-6,8H2,1-2H3.
What are the key properties of 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 240.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82432148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).