N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide

C11H14N4OS — CID 91833265

IUPACN-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCCc1nc(CNC(=O)c2cnc[nH]2)cs1
InChIInChI=1S/C11H14N4OS/c1-2-3-10-15-8(6-17-10)4-13-11(16)9-5-12-7-14-9/h5-7H,2-4H2,1H3,(H,12,14)(H,13,16)
InChIKeyOEMLEBAWJJLILC-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.75
Rot. Bonds5

About N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide

N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 91833265) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide
PubChem CID91833265
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCCc1nc(CNC(=O)c2cnc[nH]2)cs1
InChIInChI=1S/C11H14N4OS/c1-2-3-10-15-8(6-17-10)4-13-11(16)9-5-12-7-14-9/h5-7H,2-4H2,1H3,(H,12,14)(H,13,16)
InChIKeyOEMLEBAWJJLILC-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide (CID 91833265) is N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide is CCCc1nc(CNC(=O)c2cnc[nH]2)cs1.
What is the InChIKey of N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is OEMLEBAWJJLILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-3-10-15-8(6-17-10)4-13-11(16)9-5-12-7-14-9/h5-7H,2-4H2,1H3,(H,12,14)(H,13,16).
What are the key properties of N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91833265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).