N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

C13H18N4OS — CID 47188444

IUPACN-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C13H18N4OS/c1-3-4-11-16-10(2)12(19-11)13(18)15-6-8-17-7-5-14-9-17/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,18)
InChIKeyPQZYQEHKYYQQHR-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.03
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 47188444) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID47188444
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C13H18N4OS/c1-3-4-11-16-10(2)12(19-11)13(18)15-6-8-17-7-5-14-9-17/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,18)
InChIKeyPQZYQEHKYYQQHR-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 47188444) is N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)NCCn2ccnc2)s1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is PQZYQEHKYYQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-4-11-16-10(2)12(19-11)13(18)15-6-8-17-7-5-14-9-17/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47188444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).