N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide

C14H15N5OS — CID 71933269

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2n[nH]nc2c1)c1nc(C)cs1
InChIInChI=1S/C14H15N5OS/c1-3-10(14-15-8(2)7-21-14)16-13(20)9-4-5-11-12(6-9)18-19-17-11/h4-7,10H,3H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyXRFNMCCRKBDIML-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide

N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide (PubChem CID 71933269) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide
PubChem CID71933269
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2n[nH]nc2c1)c1nc(C)cs1
InChIInChI=1S/C14H15N5OS/c1-3-10(14-15-8(2)7-21-14)16-13(20)9-4-5-11-12(6-9)18-19-17-11/h4-7,10H,3H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyXRFNMCCRKBDIML-UHFFFAOYSA-N
XLogP2.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 44299928
N-(1,3-benzothiazol-2-ylmethyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 166194965
1-ethyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzotriazole-5-carboxamide
CID 4824050
Benzo[c][1,2,5]thiadiazol-5-yl(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)methanone
CID 45502206
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 45568619
N-butan-2-yl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 46984810
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-ethylbenzotriazole-5-carboxamide
CID 47024500
2H-benzotriazol-5-yl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135926
N-(1-(thiophen-2-yl)propan-2-yl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 45554984
N-((4-methyl-2-(o-tolyl)thiazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 71795491
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 71795612
N-(2-(2-methylthiazol-4-yl)phenyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 73168660

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide (CID 71933269) is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide is CCC(NC(=O)c1ccc2n[nH]nc2c1)c1nc(C)cs1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is XRFNMCCRKBDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-10(14-15-8(2)7-21-14)16-13(20)9-4-5-11-12(6-9)18-19-17-11/h4-7,10H,3H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 71933269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).