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

C15H18N4OS — CID 103384288

IUPACN-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide
SMILESNc1nsc(NCCNC(=O)C2CC2)c1-c1ccccc1
InChIInChI=1S/C15H18N4OS/c16-13-12(10-4-2-1-3-5-10)15(21-19-13)18-9-8-17-14(20)11-6-7-11/h1-5,11,18H,6-9H2,(H2,16,19)(H,17,20)
InChIKeyLPNRUPINUUEFEF-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.33
Rot. Bonds6

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

N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 103384288) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID103384288
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide
SMILESNc1nsc(NCCNC(=O)C2CC2)c1-c1ccccc1
InChIInChI=1S/C15H18N4OS/c16-13-12(10-4-2-1-3-5-10)15(21-19-13)18-9-8-17-14(20)11-6-7-11/h1-5,11,18H,6-9H2,(H2,16,19)(H,17,20)
InChIKeyLPNRUPINUUEFEF-UHFFFAOYSA-N
XLogP2.33
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide (CID 103384288) is N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide is Nc1nsc(NCCNC(=O)C2CC2)c1-c1ccccc1.
What is the InChIKey of N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is LPNRUPINUUEFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-13-12(10-4-2-1-3-5-10)15(21-19-13)18-9-8-17-14(20)11-6-7-11/h1-5,11,18H,6-9H2,(H2,16,19)(H,17,20).
What are the key properties of N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 103384288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).