N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

C16H16N6OS — CID 11595292

IUPACN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCCn1nnc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1
InChIInChI=1S/C16H16N6OS/c1-2-22-20-14(19-21-22)13-12(10-6-4-3-5-7-10)17-16(24-13)18-15(23)11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H,17,18,23)
InChIKeyDIDLQFLXXMMQHA-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.83
Rot. Bonds5

About N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 11595292) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID11595292
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCCn1nnc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1
InChIInChI=1S/C16H16N6OS/c1-2-22-20-14(19-21-22)13-12(10-6-4-3-5-7-10)17-16(24-13)18-15(23)11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H,17,18,23)
InChIKeyDIDLQFLXXMMQHA-UHFFFAOYSA-N
XLogP2.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 11595292) is N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is CCn1nnc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is DIDLQFLXXMMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-2-22-20-14(19-21-22)13-12(10-6-4-3-5-7-10)17-16(24-13)18-15(23)11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H,17,18,23).
What are the key properties of N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11595292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).