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

C14H20N4OS — CID 48983117

IUPAC2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCn1ccnc1
InChIInChI=1S/C14H20N4OS/c1-10-11(20-13(17-10)14(2,3)4)12(19)16-6-8-18-7-5-15-9-18/h5,7,9H,6,8H2,1-4H3,(H,16,19)
InChIKeyZTTTYSCOXJUJOE-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.38
Rot. Bonds4

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

2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 48983117) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID48983117
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCn1ccnc1
InChIInChI=1S/C14H20N4OS/c1-10-11(20-13(17-10)14(2,3)4)12(19)16-6-8-18-7-5-15-9-18/h5,7,9H,6,8H2,1-4H3,(H,16,19)
InChIKeyZTTTYSCOXJUJOE-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 48983117) is 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCCn1ccnc1.
What is the InChIKey of 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZTTTYSCOXJUJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-11(20-13(17-10)14(2,3)4)12(19)16-6-8-18-7-5-15-9-18/h5,7,9H,6,8H2,1-4H3,(H,16,19).
What are the key properties of 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48983117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).