4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine

C13H15ClN6S — CID 56874356

IUPAC4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cl)c(-c2nccn2CCn2cccn2)s1
InChIInChI=1S/C13H15ClN6S/c1-18(2)13-17-11(14)10(21-13)12-15-5-7-19(12)8-9-20-6-3-4-16-20/h3-7H,8-9H2,1-2H3
InChIKeyMGOVQLUQLLPPRX-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.62
Rot. Bonds5

About 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine

4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 56874356) has the molecular formula C13H15ClN6S and a molecular weight of 322.83 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine
PubChem CID56874356
Molecular FormulaC13H15ClN6S
Molecular Weight322.83 g/mol
Exact Mass322.08
IUPAC Name4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cl)c(-c2nccn2CCn2cccn2)s1
InChIInChI=1S/C13H15ClN6S/c1-18(2)13-17-11(14)10(21-13)12-15-5-7-19(12)8-9-20-6-3-4-16-20/h3-7H,8-9H2,1-2H3
InChIKeyMGOVQLUQLLPPRX-UHFFFAOYSA-N
XLogP2.62
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine (CID 56874356) is 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine is CN(C)c1nc(Cl)c(-c2nccn2CCn2cccn2)s1.
What is the InChIKey of 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is MGOVQLUQLLPPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6S/c1-18(2)13-17-11(14)10(21-13)12-15-5-7-19(12)8-9-20-6-3-4-16-20/h3-7H,8-9H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine?
4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 322.83 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56874356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).