2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile

C15H18N4S — CID 102624625

IUPAC2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile
SMILESCCc1cnc(C(C)Nc2ccc(N)c(CC#N)c2)s1
InChIInChI=1S/C15H18N4S/c1-3-13-9-18-15(20-13)10(2)19-12-4-5-14(17)11(8-12)6-7-16/h4-5,8-10,19H,3,6,17H2,1-2H3
InChIKeyKXAMFNGRRKTOGJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile

2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile (PubChem CID 102624625) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile
PubChem CID102624625
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile
SMILESCCc1cnc(C(C)Nc2ccc(N)c(CC#N)c2)s1
InChIInChI=1S/C15H18N4S/c1-3-13-9-18-15(20-13)10(2)19-12-4-5-14(17)11(8-12)6-7-16/h4-5,8-10,19H,3,6,17H2,1-2H3
InChIKeyKXAMFNGRRKTOGJ-UHFFFAOYSA-N
XLogP3.53
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104613096
2-[2-amino-5-(1-phenylethylamino)phenyl]acetonitrile
CID 102623713
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
2-[2-amino-5-[(1-hydroxy-4-methylpentan-3-yl)amino]phenyl]acetonitrile
CID 106348212
2-[2-amino-5-(pent-4-en-2-ylamino)phenyl]acetonitrile
CID 102624678
2-[2-amino-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]phenyl]acetonitrile
CID 114985453
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 112697218
4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 133335803
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile (CID 102624625) is 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile is CCc1cnc(C(C)Nc2ccc(N)c(CC#N)c2)s1.
What is the InChIKey of 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile?
The InChIKey is KXAMFNGRRKTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-13-9-18-15(20-13)10(2)19-12-4-5-14(17)11(8-12)6-7-16/h4-5,8-10,19H,3,6,17H2,1-2H3.
What are the key properties of 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile?
2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile has a molecular weight of 286.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 102624625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).