4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine

C10H17ClN2S — CID 23131063

IUPAC4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(CCl)n1C(C)C
InChIInChI=1S/C10H17ClN2S/c1-7(2)12-10-13(8(3)4)9(5-11)6-14-10/h6-8H,5H2,1-4H3/b12-10-
InChIKeyYNMWAVXPCORTPF-BENRWUELSA-N
MW232.78 g/mol
LogP3.18
Rot. Bonds3

About 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine

4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine (PubChem CID 23131063) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine
PubChem CID23131063
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(CCl)n1C(C)C
InChIInChI=1S/C10H17ClN2S/c1-7(2)12-10-13(8(3)4)9(5-11)6-14-10/h6-8H,5H2,1-4H3/b12-10-
InChIKeyYNMWAVXPCORTPF-BENRWUELSA-N
XLogP3.18
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine (CID 23131063) is 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine is CC(C)/N=c1\scc(CCl)n1C(C)C.
What is the InChIKey of 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine?
The InChIKey is YNMWAVXPCORTPF-BENRWUELSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-7(2)12-10-13(8(3)4)9(5-11)6-14-10/h6-8H,5H2,1-4H3/b12-10-.
What are the key properties of 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine?
4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine has a molecular weight of 232.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,3-di(propan-2-yl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).