4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine

C9H12N2S — CID 143971713

IUPAC4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
SMILESC/C=C\c1nc(N)sc1/C=C\C
InChIInChI=1S/C9H12N2S/c1-3-5-7-8(6-4-2)12-9(10)11-7/h3-6H,1-2H3,(H2,10,11)/b5-3-,6-4-
InChIKeyZNCHWIGRSUKFNK-GLIMQPGKSA-N
MW180.28 g/mol
LogP2.79
Rot. Bonds2

About 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine

4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine (PubChem CID 143971713) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
PubChem CID143971713
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
SMILESC/C=C\c1nc(N)sc1/C=C\C
InChIInChI=1S/C9H12N2S/c1-3-5-7-8(6-4-2)12-9(10)11-7/h3-6H,1-2H3,(H2,10,11)/b5-3-,6-4-
InChIKeyZNCHWIGRSUKFNK-GLIMQPGKSA-N
XLogP2.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine (CID 143971713) is 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine is C/C=C\c1nc(N)sc1/C=C\C.
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine?
The InChIKey is ZNCHWIGRSUKFNK-GLIMQPGKSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-5-7-8(6-4-2)12-9(10)11-7/h3-6H,1-2H3,(H2,10,11)/b5-3-,6-4-.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine?
4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine has a molecular weight of 180.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(Z)-prop-1-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143971713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).