N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide

C16H15N5OS — CID 89096129

IUPACN-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C(C)c1cc(-c2sc(NC(=O)n3ccnc3)nc2C)ccn1
InChIInChI=1S/C16H15N5OS/c1-10(2)13-8-12(4-5-18-13)14-11(3)19-15(23-14)20-16(22)21-7-6-17-9-21/h4-9H,1H2,2-3H3,(H,19,20,22)
InChIKeyFJJBLXCYYRKIBU-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.82
Rot. Bonds3

About N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 89096129) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID89096129
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C(C)c1cc(-c2sc(NC(=O)n3ccnc3)nc2C)ccn1
InChIInChI=1S/C16H15N5OS/c1-10(2)13-8-12(4-5-18-13)14-11(3)19-15(23-14)20-16(22)21-7-6-17-9-21/h4-9H,1H2,2-3H3,(H,19,20,22)
InChIKeyFJJBLXCYYRKIBU-UHFFFAOYSA-N
XLogP3.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 89096129) is N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide is C=C(C)c1cc(-c2sc(NC(=O)n3ccnc3)nc2C)ccn1.
What is the InChIKey of N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is FJJBLXCYYRKIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10(2)13-8-12(4-5-18-13)14-11(3)19-15(23-14)20-16(22)21-7-6-17-9-21/h4-9H,1H2,2-3H3,(H,19,20,22).
What are the key properties of N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 89096129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).