2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C12H14N4OS — CID 55175798

IUPAC2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2nccs2)c(N)c1
InChIInChI=1S/C12H14N4OS/c13-8-1-2-9(10(14)7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4,13-14H2,(H,16,17)
InChIKeyKJSGLLBUONPARO-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.28
Rot. Bonds4

About 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 55175798) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID55175798
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2nccs2)c(N)c1
InChIInChI=1S/C12H14N4OS/c13-8-1-2-9(10(14)7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4,13-14H2,(H,16,17)
InChIKeyKJSGLLBUONPARO-UHFFFAOYSA-N
XLogP1.28
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
2-(5-amino-2-pyridinyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107338793
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 55175798) is 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2nccs2)c(N)c1.
What is the InChIKey of 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is KJSGLLBUONPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-8-1-2-9(10(14)7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4,13-14H2,(H,16,17).
What are the key properties of 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 262.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 55175798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).