2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine

C11H18N2S2 — CID 79957326

IUPAC2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
SMILESCC1SCCCC1NCCc1nccs1
InChIInChI=1S/C11H18N2S2/c1-9-10(3-2-7-14-9)12-5-4-11-13-6-8-15-11/h6,8-10,12H,2-5,7H2,1H3
InChIKeyZASDKHRVNJLSFA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.56
Rot. Bonds4

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

2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine (PubChem CID 79957326) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
PubChem CID79957326
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
SMILESCC1SCCCC1NCCc1nccs1
InChIInChI=1S/C11H18N2S2/c1-9-10(3-2-7-14-9)12-5-4-11-13-6-8-15-11/h6,8-10,12H,2-5,7H2,1H3
InChIKeyZASDKHRVNJLSFA-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine
CID 79956706
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
2-methyl-N-octylthian-3-amine
CID 115567011
N'-(2-methylthian-3-yl)butane-1,4-diamine
CID 79957665
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine (CID 79957326) is 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine is CC1SCCCC1NCCc1nccs1.
What is the InChIKey of 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine?
The InChIKey is ZASDKHRVNJLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-9-10(3-2-7-14-9)12-5-4-11-13-6-8-15-11/h6,8-10,12H,2-5,7H2,1H3.
What are the key properties of 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine?
2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 79957326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).