(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide

C20H15N7OS — CID 95331033

IUPAC(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide
SMILESN#C[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1nc2ccccc2s1
InChIInChI=1S/C20H15N7OS/c21-11-15(20-23-16-6-1-2-7-17(16)29-20)19(28)22-13-5-3-4-12(10-13)18-24-25-26-27(18)14-8-9-14/h1-7,10,14-15H,8-9H2,(H,22,28)/t15-/m1/s1
InChIKeyJMZGLZDTOFPSLS-OAHLLOKOSA-N
MW401.46 g/mol
LogP3.53
Rot. Bonds5

About (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide

(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide (PubChem CID 95331033) has the molecular formula C20H15N7OS and a molecular weight of 401.46 g/mol. Its IUPAC name is (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide
PubChem CID95331033
Molecular FormulaC20H15N7OS
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide
SMILESN#C[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1nc2ccccc2s1
InChIInChI=1S/C20H15N7OS/c21-11-15(20-23-16-6-1-2-7-17(16)29-20)19(28)22-13-5-3-4-12(10-13)18-24-25-26-27(18)14-8-9-14/h1-7,10,14-15H,8-9H2,(H,22,28)/t15-/m1/s1
InChIKeyJMZGLZDTOFPSLS-OAHLLOKOSA-N
XLogP3.53
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide with MolForge

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Related Compounds

(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
CID 94817456
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 134042577
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide (CID 95331033) is (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide is N#C[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1nc2ccccc2s1.
What is the InChIKey of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is JMZGLZDTOFPSLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H15N7OS/c21-11-15(20-23-16-6-1-2-7-17(16)29-20)19(28)22-13-5-3-4-12(10-13)18-24-25-26-27(18)14-8-9-14/h1-7,10,14-15H,8-9H2,(H,22,28)/t15-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide?
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 95331033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).