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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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(2-Amino-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 13582275
4'-Methyl-N2-(pyrimidin-2-yl)-[4,5'-bithiazole]-2,2'-diamine
CID 2877714
4-(1,3-Thiazol-2-yl)pyrimidin-2-amine
CID 4131872
4-(dimethyl-1,3-thiazol-5-yl)-N-methylpyrimidin-2-amine
CID 6539278
Amino pyrimidine, 6
CID 2744836
2',4'-dimethyl-N-2-pyrimidinyl-4,5'-bi-1,3-thiazol-2-amine hydrobromide
CID 2877560
4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 746607
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
CID 6539279
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
4-(2-(Thiophen-2-yl)vinyl)pyrimidin-2-amine
CID 49862693
4-(1-aminoethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49795542

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).