5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide

C7H8N2OS — CID 59218000

IUPAC5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
SMILESC/C=C\c1cnc(C(N)=O)s1
InChIInChI=1S/C7H8N2OS/c1-2-3-5-4-9-7(11-5)6(8)10/h2-4H,1H3,(H2,8,10)/b3-2-
InChIKeyLUNQGRRRCPWDGC-IHWYPQMZSA-N
MW168.22 g/mol
LogP1.28
Rot. Bonds2

About 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide

5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide (PubChem CID 59218000) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
PubChem CID59218000
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
SMILESC/C=C\c1cnc(C(N)=O)s1
InChIInChI=1S/C7H8N2OS/c1-2-3-5-4-9-7(11-5)6(8)10/h2-4H,1H3,(H2,8,10)/b3-2-
InChIKeyLUNQGRRRCPWDGC-IHWYPQMZSA-N
XLogP1.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide (CID 59218000) is 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide is C/C=C\c1cnc(C(N)=O)s1.
What is the InChIKey of 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
The InChIKey is LUNQGRRRCPWDGC-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-2-3-5-4-9-7(11-5)6(8)10/h2-4H,1H3,(H2,8,10)/b3-2-.
What are the key properties of 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide has a molecular weight of 168.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 59218000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).