4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine

C9H8N4S — CID 169049159

IUPAC4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2ccncn2)cs1
InChIInChI=1S/C9H8N4S/c10-9-13-8(5-14-9)2-1-7-3-4-11-6-12-7/h1-6H,(H2,10,13)/b2-1+
InChIKeyGMUQFCRAPGHNSV-OWOJBTEDSA-N
MW204.26 g/mol
LogP1.69
Rot. Bonds2

About 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine

4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine (PubChem CID 169049159) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine
PubChem CID169049159
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2ccncn2)cs1
InChIInChI=1S/C9H8N4S/c10-9-13-8(5-14-9)2-1-7-3-4-11-6-12-7/h1-6H,(H2,10,13)/b2-1+
InChIKeyGMUQFCRAPGHNSV-OWOJBTEDSA-N
XLogP1.69
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine (CID 169049159) is 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine is Nc1nc(/C=C/c2ccncn2)cs1.
What is the InChIKey of 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine?
The InChIKey is GMUQFCRAPGHNSV-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8N4S/c10-9-13-8(5-14-9)2-1-7-3-4-11-6-12-7/h1-6H,(H2,10,13)/b2-1+.
What are the key properties of 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine has a molecular weight of 204.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-pyrimidin-4-ylethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).