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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Related Compounds

N,N,4-trimethyl-2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxamide
CID 6465558
2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 10345392
N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47188444
N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47188445
2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 48983117
2-ethyl-4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385088
(2,4-Dimethyl-1,3-thiazol-5-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53603078
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53609277
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
{1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanone
CID 70772556
1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72868449
2-isopropyl-4-methyl-N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1,3-thiazole-5-carboxamide
CID 72896227

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).