N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

C25H29N5O2S — CID 162454407

IUPACN-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cccc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)c1
InChIInChI=1S/C25H29N5O2S/c1-25(2,3)18-5-4-6-19(14-18)28-23(32)30-24-27-15-20(33-24)10-7-16-11-12-26-21(13-16)29-22(31)17-8-9-17/h4-6,11-15,17H,7-10H2,1-3H3,(H,26,29,31)(H2,27,28,30,32)
InChIKeyQIJVIBLFNBUNPT-UHFFFAOYSA-N
MW463.61 g/mol
LogP5.61
Rot. Bonds7

About N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 162454407) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID162454407
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC NameN-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cccc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)c1
InChIInChI=1S/C25H29N5O2S/c1-25(2,3)18-5-4-6-19(14-18)28-23(32)30-24-27-15-20(33-24)10-7-16-11-12-26-21(13-16)29-22(31)17-8-9-17/h4-6,11-15,17H,7-10H2,1-3H3,(H,26,29,31)(H2,27,28,30,32)
InChIKeyQIJVIBLFNBUNPT-UHFFFAOYSA-N
XLogP5.61
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.61
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 162454407) is N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is CC(C)(C)c1cccc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)c1.
What is the InChIKey of N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QIJVIBLFNBUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-25(2,3)18-5-4-6-19(14-18)28-23(32)30-24-27-15-20(33-24)10-7-16-11-12-26-21(13-16)29-22(31)17-8-9-17/h4-6,11-15,17H,7-10H2,1-3H3,(H,26,29,31)(H2,27,28,30,32).
What are the key properties of N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 463.61 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(3-tert-butylphenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 162454407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).