2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide

C14H18N4OS — CID 115545340

IUPAC2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
SMILESCc1nc(C)c(C(C)Nc2cccc(C(N)=O)c2N)s1
InChIInChI=1S/C14H18N4OS/c1-7-13(20-9(3)17-7)8(2)18-11-6-4-5-10(12(11)15)14(16)19/h4-6,8,18H,15H2,1-3H3,(H2,16,19)
InChIKeyZYFVCPGJDIHJHB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide

2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide (PubChem CID 115545340) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
PubChem CID115545340
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
SMILESCc1nc(C)c(C(C)Nc2cccc(C(N)=O)c2N)s1
InChIInChI=1S/C14H18N4OS/c1-7-13(20-9(3)17-7)8(2)18-11-6-4-5-10(12(11)15)14(16)19/h4-6,8,18H,15H2,1-3H3,(H2,16,19)
InChIKeyZYFVCPGJDIHJHB-UHFFFAOYSA-N
XLogP2.61
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.61
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

5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
CID 63751916
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbenzoic acid
CID 107111939
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline
CID 63752957
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
CID 113332730
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoquinoline-5,6-diamine
CID 106947830
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The IUPAC name of 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide (CID 115545340) is 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide is Cc1nc(C)c(C(C)Nc2cccc(C(N)=O)c2N)s1.
What is the InChIKey of 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The InChIKey is ZYFVCPGJDIHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-7-13(20-9(3)17-7)8(2)18-11-6-4-5-10(12(11)15)14(16)19/h4-6,8,18H,15H2,1-3H3,(H2,16,19).
What are the key properties of 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide?
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 115545340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).