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

C12H16N4OS — CID 125446155

IUPACN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cscn1)c1nccn1C
InChIInChI=1S/C12H16N4OS/c1-8(2)10(11-13-4-5-16(11)3)15-12(17)9-6-18-7-14-9/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQZDJUIANVKASEM-JTQLQIEISA-N
MW264.35 g/mol
LogP2.00
Rot. Bonds4

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

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 125446155) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID125446155
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cscn1)c1nccn1C
InChIInChI=1S/C12H16N4OS/c1-8(2)10(11-13-4-5-16(11)3)15-12(17)9-6-18-7-14-9/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQZDJUIANVKASEM-JTQLQIEISA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472636
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62045490
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 122562082
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95197106
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 122560977
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (CID 125446155) is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is CC(C)[C@H](NC(=O)c1cscn1)c1nccn1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QZDJUIANVKASEM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)10(11-13-4-5-16(11)3)15-12(17)9-6-18-7-14-9/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125446155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).