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

C12H18N6OS — CID 59921788

IUPACN-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CCc2nnn(C(C)(C)C)n2)s1
InChIInChI=1S/C12H18N6OS/c1-8(19)14-11-13-7-9(20-11)5-6-10-15-17-18(16-10)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,19)
InChIKeyBBBFNGXECMFLBH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.63
Rot. Bonds4

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

N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 59921788) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID59921788
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CCc2nnn(C(C)(C)C)n2)s1
InChIInChI=1S/C12H18N6OS/c1-8(19)14-11-13-7-9(20-11)5-6-10-15-17-18(16-10)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,19)
InChIKeyBBBFNGXECMFLBH-UHFFFAOYSA-N
XLogP1.63
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.63
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-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide (CID 59921788) is N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CCc2nnn(C(C)(C)C)n2)s1.
What is the InChIKey of N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BBBFNGXECMFLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-8(19)14-11-13-7-9(20-11)5-6-10-15-17-18(16-10)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,19).
What are the key properties of N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-tert-butyltetrazol-5-yl)ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 59921788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).