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

C13H18N4OS — CID 47188445

IUPACN-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCn1ccnc1
InChIInChI=1S/C13H18N4OS/c1-9(2)13-16-10(3)11(19-13)12(18)15-5-7-17-6-4-14-8-17/h4,6,8-9H,5,7H2,1-3H3,(H,15,18)
InChIKeyWIHSDZZTACTINZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.20
Rot. Bonds5

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

N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47188445) 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-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47188445
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCn1ccnc1
InChIInChI=1S/C13H18N4OS/c1-9(2)13-16-10(3)11(19-13)12(18)15-5-7-17-6-4-14-8-17/h4,6,8-9H,5,7H2,1-3H3,(H,15,18)
InChIKeyWIHSDZZTACTINZ-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.20
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-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 47188445) is N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WIHSDZZTACTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(2)13-16-10(3)11(19-13)12(18)15-5-7-17-6-4-14-8-17/h4,6,8-9H,5,7H2,1-3H3,(H,15,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.20, 5 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-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47188445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).