N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine

C12H13N3S — CID 4309192

IUPACN-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NN=C3CCCC3)nc2c1
InChIInChI=1S/C12H13N3S/c1-2-6-9(5-1)14-15-12-13-10-7-3-4-8-11(10)16-12/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyIPSWZQGHBLDAKY-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.64
Rot. Bonds2

About N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine

N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine (PubChem CID 4309192) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
PubChem CID4309192
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NN=C3CCCC3)nc2c1
InChIInChI=1S/C12H13N3S/c1-2-6-9(5-1)14-15-12-13-10-7-3-4-8-11(10)16-12/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyIPSWZQGHBLDAKY-UHFFFAOYSA-N
XLogP3.64
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
CID 9017158
(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one
CID 6521588
N-[(4-tert-butylcyclohexylidene)amino]-1,3-benzothiazol-2-amine
CID 4219871
N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-1,3-benzothiazol-2-amine
CID 4562725
6-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)-2,3-dihydroinden-4-yl]pyridine-2-carboxylic acid
CID 71747851
6-[(5E)-5-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl]pyridine-2-carboxylic acid
CID 71745695
6-[5-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl]pyridine-2-carboxylic acid
CID 78167295
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-hydroxy-3H-inden-1-one
CID 167483037
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 6436791
(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136822931
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-bromo-3H-inden-1-one
CID 167483085
4-[N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenol
CID 3270340

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine (CID 4309192) is N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine is c1ccc2sc(NN=C3CCCC3)nc2c1.
What is the InChIKey of N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine?
The InChIKey is IPSWZQGHBLDAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-6-9(5-1)14-15-12-13-10-7-3-4-8-11(10)16-12/h3-4,7-8H,1-2,5-6H2,(H,13,15).
What are the key properties of N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine?
N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4309192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).