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

C14H19N3S — CID 115376388

IUPAC3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
SMILESCc1ncsc1C(C)Nc1cccc(N(C)C)c1
InChIInChI=1S/C14H19N3S/c1-10-14(18-9-15-10)11(2)16-12-6-5-7-13(8-12)17(3)4/h5-9,11,16H,1-4H3
InChIKeyPICSMQBLQLNNQX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.69
Rot. Bonds4

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

3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine (PubChem CID 115376388) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
PubChem CID115376388
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
SMILESCc1ncsc1C(C)Nc1cccc(N(C)C)c1
InChIInChI=1S/C14H19N3S/c1-10-14(18-9-15-10)11(2)16-12-6-5-7-13(8-12)17(3)4/h5-9,11,16H,1-4H3
InChIKeyPICSMQBLQLNNQX-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

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43757342
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
CID 115376129
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
4-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-nitroaniline
CID 43785547
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine (CID 115376388) is 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine is Cc1ncsc1C(C)Nc1cccc(N(C)C)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine?
The InChIKey is PICSMQBLQLNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-14(18-9-15-10)11(2)16-12-6-5-7-13(8-12)17(3)4/h5-9,11,16H,1-4H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-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 3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 115376388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).