5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C11H9ClN6S — CID 91186077

IUPAC5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(-c2sc(N)nc2-c2cn[nH]c2)ncc1Cl
InChIInChI=1S/C11H9ClN6S/c1-5-7(12)4-14-10(17-5)9-8(18-11(13)19-9)6-2-15-16-3-6/h2-4H,1H3,(H2,13,18)(H,15,16)
InChIKeyFOBUCQQVYNEOJN-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.53
Rot. Bonds2

About 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 91186077) has the molecular formula C11H9ClN6S and a molecular weight of 292.76 g/mol. Its IUPAC name is 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID91186077
Molecular FormulaC11H9ClN6S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(-c2sc(N)nc2-c2cn[nH]c2)ncc1Cl
InChIInChI=1S/C11H9ClN6S/c1-5-7(12)4-14-10(17-5)9-8(18-11(13)19-9)6-2-15-16-3-6/h2-4H,1H3,(H2,13,18)(H,15,16)
InChIKeyFOBUCQQVYNEOJN-UHFFFAOYSA-N
XLogP2.53
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 91186077) is 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1nc(-c2sc(N)nc2-c2cn[nH]c2)ncc1Cl.
What is the InChIKey of 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is FOBUCQQVYNEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6S/c1-5-7(12)4-14-10(17-5)9-8(18-11(13)19-9)6-2-15-16-3-6/h2-4H,1H3,(H2,13,18)(H,15,16).
What are the key properties of 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 292.76 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 91186077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).