N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine

C12H20N2S2 — CID 115753114

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
SMILESCc1nc(C(C)NC2CCCSC2)c(C)s1
InChIInChI=1S/C12H20N2S2/c1-8(12-9(2)16-10(3)14-12)13-11-5-4-6-15-7-11/h8,11,13H,4-7H2,1-3H3
InChIKeyAMNUJZCBGGMXJK-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.31
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine (PubChem CID 115753114) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
PubChem CID115753114
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
SMILESCc1nc(C(C)NC2CCCSC2)c(C)s1
InChIInChI=1S/C12H20N2S2/c1-8(12-9(2)16-10(3)14-12)13-11-5-4-6-15-7-11/h8,11,13H,4-7H2,1-3H3
InChIKeyAMNUJZCBGGMXJK-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862030
1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
CID 43745928
(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81390319
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 113278101
N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43204195
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
N-[1-(2,5-dimethylfuran-3-yl)ethyl]thian-3-amine
CID 62870946
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thian-3-amine
CID 115726639
5-methyl-2-[1-(thian-3-ylamino)ethyl]phenol
CID 113429398

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine (CID 115753114) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine is Cc1nc(C(C)NC2CCCSC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
The InChIKey is AMNUJZCBGGMXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-8(12-9(2)16-10(3)14-12)13-11-5-4-6-15-7-11/h8,11,13H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine has a molecular weight of 256.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine is sourced from PubChem (CID 115753114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).