3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile

C11H10N4S — CID 14171367

IUPAC3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCc1ccccc1
InChIInChI=1S/C11H10N4S/c12-6-9-10(13)15-16-11(9)14-7-8-4-2-1-3-5-8/h1-5,14H,7H2,(H2,13,15)
InChIKeyWARJFVYAXWOUBA-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.21
Rot. Bonds3

About 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 14171367) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile
PubChem CID14171367
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCc1ccccc1
InChIInChI=1S/C11H10N4S/c12-6-9-10(13)15-16-11(9)14-7-8-4-2-1-3-5-8/h1-5,14H,7H2,(H2,13,15)
InChIKeyWARJFVYAXWOUBA-UHFFFAOYSA-N
XLogP2.21
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile (CID 14171367) is 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCc1ccccc1.
What is the InChIKey of 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is WARJFVYAXWOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-6-9-10(13)15-16-11(9)14-7-8-4-2-1-3-5-8/h1-5,14H,7H2,(H2,13,15).
What are the key properties of 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 14171367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).