N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide

C16H23N5O2S — CID 95708149

IUPACN-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCCO3)nn2)cs1
InChIInChI=1S/C16H23N5O2S/c1-11(2)15-17-12(10-24-15)7-20(3)16(22)14-9-21(19-18-14)8-13-5-4-6-23-13/h9-11,13H,4-8H2,1-3H3/t13-/m0/s1
InChIKeyAQPNQFOHTZLBHL-ZDUSSCGKSA-N
MW349.46 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide

N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 95708149) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID95708149
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCCO3)nn2)cs1
InChIInChI=1S/C16H23N5O2S/c1-11(2)15-17-12(10-24-15)7-20(3)16(22)14-9-21(19-18-14)8-13-5-4-6-23-13/h9-11,13H,4-8H2,1-3H3/t13-/m0/s1
InChIKeyAQPNQFOHTZLBHL-ZDUSSCGKSA-N
XLogP2.31
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95122940
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
CID 95728030
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899324
1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 45214039
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 26335479
N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 42525623
1-[[(2S)-oxolan-2-yl]methyl]-N-prop-2-enyl-N-prop-2-ynyltriazole-4-carboxamide
CID 25454008
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 50956753
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (CID 95708149) is N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is CC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCCO3)nn2)cs1.
What is the InChIKey of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is AQPNQFOHTZLBHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11(2)15-17-12(10-24-15)7-20(3)16(22)14-9-21(19-18-14)8-13-5-4-6-23-13/h9-11,13H,4-8H2,1-3H3/t13-/m0/s1.
What are the key properties of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 95708149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).