4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide

C16H24N4OS — CID 50968252

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C16H24N4OS/c1-6-8-20(10-13-17-7-9-19(13)5)16(21)14-12(4)18-15(22-14)11(2)3/h7,9,11H,6,8,10H2,1-5H3
InChIKeyVAQDCJFCPGUJSN-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.36
Rot. Bonds6

About 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide

4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 50968252) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID50968252
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C16H24N4OS/c1-6-8-20(10-13-17-7-9-19(13)5)16(21)14-12(4)18-15(22-14)11(2)3/h7,9,11H,6,8,10H2,1-5H3
InChIKeyVAQDCJFCPGUJSN-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide (CID 50968252) is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide is CCCN(Cc1nccn1C)C(=O)c1sc(C(C)C)nc1C.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is VAQDCJFCPGUJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-6-8-20(10-13-17-7-9-19(13)5)16(21)14-12(4)18-15(22-14)11(2)3/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50968252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).