N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide

C12H18N6OS — CID 57286487

IUPACN-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1nnc(CCc2cnc(NC(C)=O)s2)n1
InChIInChI=1S/C12H18N6OS/c1-3-4-7-18-16-11(15-17-18)6-5-10-8-13-12(20-10)14-9(2)19/h8H,3-7H2,1-2H3,(H,13,14,19)
InChIKeyHONWMSJIIYDCEJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds7

About N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide

N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 57286487) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID57286487
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1nnc(CCc2cnc(NC(C)=O)s2)n1
InChIInChI=1S/C12H18N6OS/c1-3-4-7-18-16-11(15-17-18)6-5-10-8-13-12(20-10)14-9(2)19/h8H,3-7H2,1-2H3,(H,13,14,19)
InChIKeyHONWMSJIIYDCEJ-UHFFFAOYSA-N
XLogP1.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide (CID 57286487) is N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide is CCCCn1nnc(CCc2cnc(NC(C)=O)s2)n1.
What is the InChIKey of N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HONWMSJIIYDCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-4-7-18-16-11(15-17-18)6-5-10-8-13-12(20-10)14-9(2)19/h8H,3-7H2,1-2H3,(H,13,14,19).
What are the key properties of N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 57286487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).