N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine

C14H14N4O2S — CID 747648

IUPACN-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C14H14N4O2S/c19-18(20)12-7-5-10(6-8-12)13-9-21-14(15-13)17-16-11-3-1-2-4-11/h5-9H,1-4H2,(H,15,17)
InChIKeyDVNGUIAUHYPPNY-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.06
Rot. Bonds4

About N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine

N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine (PubChem CID 747648) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
PubChem CID747648
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C14H14N4O2S/c19-18(20)12-7-5-10(6-8-12)13-9-21-14(15-13)17-16-11-3-1-2-4-11/h5-9H,1-4H2,(H,15,17)
InChIKeyDVNGUIAUHYPPNY-UHFFFAOYSA-N
XLogP4.06
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine (CID 747648) is N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine is O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCC3)n2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine?
The InChIKey is DVNGUIAUHYPPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-18(20)12-7-5-10(6-8-12)13-9-21-14(15-13)17-16-11-3-1-2-4-11/h5-9H,1-4H2,(H,15,17).
What are the key properties of N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine?
N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine has a molecular weight of 302.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-(4-nitrophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 747648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).