5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine

C7H7ClN4S — CID 114663431

IUPAC5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCn1ncc(Cl)c1-c1cnc(N)s1
InChIInChI=1S/C7H7ClN4S/c1-12-6(4(8)2-11-12)5-3-10-7(9)13-5/h2-3H,1H3,(H2,9,10)
InChIKeyDQEYNUGUQKAHAE-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.78
Rot. Bonds1

About 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine

5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 114663431) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
PubChem CID114663431
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCn1ncc(Cl)c1-c1cnc(N)s1
InChIInChI=1S/C7H7ClN4S/c1-12-6(4(8)2-11-12)5-3-10-7(9)13-5/h2-3H,1H3,(H2,9,10)
InChIKeyDQEYNUGUQKAHAE-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine (CID 114663431) is 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine is Cn1ncc(Cl)c1-c1cnc(N)s1.
What is the InChIKey of 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is DQEYNUGUQKAHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c1-12-6(4(8)2-11-12)5-3-10-7(9)13-5/h2-3H,1H3,(H2,9,10).
What are the key properties of 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine?
5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 214.68 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114663431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).