N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide

C15H17N5OS — CID 126782331

IUPACN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2cccc3n[nH]nc23)cs1
InChIInChI=1S/C15H17N5OS/c1-9(2)15-17-10(8-22-15)6-7-16-14(21)11-4-3-5-12-13(11)19-20-18-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyINKAFVBAJKPQBT-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide (PubChem CID 126782331) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
PubChem CID126782331
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2cccc3n[nH]nc23)cs1
InChIInChI=1S/C15H17N5OS/c1-9(2)15-17-10(8-22-15)6-7-16-14(21)11-4-3-5-12-13(11)19-20-18-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyINKAFVBAJKPQBT-UHFFFAOYSA-N
XLogP2.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282
1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 74240112
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 146075368
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
CID 169411645
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557984
2-hydroxy-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-5-(prop-2-enoylamino)benzamide
CID 166408652
5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 91761022
2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119183061

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide?
The IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide (CID 126782331) is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide is CC(C)c1nc(CCNC(=O)c2cccc3n[nH]nc23)cs1.
What is the InChIKey of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide?
The InChIKey is INKAFVBAJKPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9(2)15-17-10(8-22-15)6-7-16-14(21)11-4-3-5-12-13(11)19-20-18-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,21)(H,18,19,20).
What are the key properties of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide?
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 126782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).