4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C12H11N5S2 — CID 2877560

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ncccn3)n2)s1
InChIInChI=1S/C12H11N5S2/c1-7-10(19-8(2)15-7)9-6-18-12(16-9)17-11-13-4-3-5-14-11/h3-6H,1-2H3,(H,13,14,16,17)
InChIKeyTYZBDOQASLMQPK-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.42
Rot. Bonds3

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 2877560) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID2877560
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ncccn3)n2)s1
InChIInChI=1S/C12H11N5S2/c1-7-10(19-8(2)15-7)9-6-18-12(16-9)17-11-13-4-3-5-14-11/h3-6H,1-2H3,(H,13,14,16,17)
InChIKeyTYZBDOQASLMQPK-UHFFFAOYSA-N
XLogP3.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 2877560) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ncccn3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is TYZBDOQASLMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-7-10(19-8(2)15-7)9-6-18-12(16-9)17-11-13-4-3-5-14-11/h3-6H,1-2H3,(H,13,14,16,17).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2877560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).