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

C14H15N5OS — CID 56783897

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C14H15N5OS/c1-8-13(21-9(2)16-8)5-6-15-14(20)10-3-4-11-12(7-10)18-19-17-11/h3-4,7H,5-6H2,1-2H3,(H,15,20)(H,17,18,19)
InChIKeyHJQLDNIEDQLDOR-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.00
Rot. Bonds4

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

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 56783897) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID56783897
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C14H15N5OS/c1-8-13(21-9(2)16-8)5-6-15-14(20)10-3-4-11-12(7-10)18-19-17-11/h3-4,7H,5-6H2,1-2H3,(H,15,20)(H,17,18,19)
InChIKeyHJQLDNIEDQLDOR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 56783897) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide is Cc1nc(C)c(CCNC(=O)c2ccc3n[nH]nc3c2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is HJQLDNIEDQLDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-13(21-9(2)16-8)5-6-15-14(20)10-3-4-11-12(7-10)18-19-17-11/h3-4,7H,5-6H2,1-2H3,(H,15,20)(H,17,18,19).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 56783897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).