4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C14H12ClN5S — CID 46948534

IUPAC4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2ncccn2)n1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN5S/c15-10-5-2-1-4-9(10)12(16)11-8-21-14(19-11)20-13-17-6-3-7-18-13/h1-8,12H,16H2,(H,17,18,19,20)
InChIKeyBHEWSDFXDCPMDH-UHFFFAOYSA-N
MW317.81 g/mol
LogP3.38
Rot. Bonds4

About 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 46948534) has the molecular formula C14H12ClN5S and a molecular weight of 317.81 g/mol. Its IUPAC name is 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID46948534
Molecular FormulaC14H12ClN5S
Molecular Weight317.81 g/mol
Exact Mass317.05
IUPAC Name4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2ncccn2)n1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN5S/c15-10-5-2-1-4-9(10)12(16)11-8-21-14(19-11)20-13-17-6-3-7-18-13/h1-8,12H,16H2,(H,17,18,19,20)
InChIKeyBHEWSDFXDCPMDH-UHFFFAOYSA-N
XLogP3.38
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 46948534) is 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is NC(c1csc(Nc2ncccn2)n1)c1ccccc1Cl.
What is the InChIKey of 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is BHEWSDFXDCPMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5S/c15-10-5-2-1-4-9(10)12(16)11-8-21-14(19-11)20-13-17-6-3-7-18-13/h1-8,12H,16H2,(H,17,18,19,20).
What are the key properties of 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 317.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-chlorophenyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46948534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).