1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine

C12H20N2S2 — CID 115719853

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
SMILESCc1ncsc1C(C)NCC1CCSCC1
InChIInChI=1S/C12H20N2S2/c1-9(12-10(2)14-8-16-12)13-7-11-3-5-15-6-4-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyJIAFQSXOZRIQJX-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine

1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine (PubChem CID 115719853) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
PubChem CID115719853
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
SMILESCc1ncsc1C(C)NCC1CCSCC1
InChIInChI=1S/C12H20N2S2/c1-9(12-10(2)14-8-16-12)13-7-11-3-5-15-6-4-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyJIAFQSXOZRIQJX-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 60855473
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43764830
3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43770856
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
N,N-dimethyl-4-[1-(thian-4-ylmethylamino)ethyl]aniline
CID 115719880
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine (CID 115719853) is 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine is Cc1ncsc1C(C)NCC1CCSCC1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine?
The InChIKey is JIAFQSXOZRIQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-9(12-10(2)14-8-16-12)13-7-11-3-5-15-6-4-11/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine?
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine has a molecular weight of 256.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine is sourced from PubChem (CID 115719853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).