4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine

C14H19N3S — CID 115916628

IUPAC4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)c1cncs1
InChIInChI=1S/C14H19N3S/c1-10-7-12(17(3)4)5-6-13(10)16-11(2)14-8-15-9-18-14/h5-9,11,16H,1-4H3
InChIKeySCLLALBMAFWDIQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.69
Rot. Bonds4

About 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine (PubChem CID 115916628) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
PubChem CID115916628
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)c1cncs1
InChIInChI=1S/C14H19N3S/c1-10-7-12(17(3)4)5-6-13(10)16-11(2)14-8-15-9-18-14/h5-9,11,16H,1-4H3
InChIKeySCLLALBMAFWDIQ-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43779637
4-N,4-N,2-trimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
CID 62759246
8-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 115928670
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43677033
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013
3-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 114003385
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115916626
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916459
3-[1-[4-(dimethylamino)-2-methylanilino]ethyl]benzonitrile
CID 43779661

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine (CID 115916628) is 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine is Cc1cc(N(C)C)ccc1NC(C)c1cncs1.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine?
The InChIKey is SCLLALBMAFWDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-7-12(17(3)4)5-6-13(10)16-11(2)14-8-15-9-18-14/h5-9,11,16H,1-4H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 115916628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).