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

C13H22N2S2 — CID 79958007

IUPAC5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine
SMILESCc1csc(CCNC2CSCC(C)(C)C2)n1
InChIInChI=1S/C13H22N2S2/c1-10-7-17-12(15-10)4-5-14-11-6-13(2,3)9-16-8-11/h7,11,14H,4-6,8-9H2,1-3H3
InChIKeyPJUGHKAPVJBXMG-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.12
Rot. Bonds4

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

5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine (PubChem CID 79958007) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine
PubChem CID79958007
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine
SMILESCc1csc(CCNC2CSCC(C)(C)C2)n1
InChIInChI=1S/C13H22N2S2/c1-10-7-17-12(15-10)4-5-14-11-6-13(2,3)9-16-8-11/h7,11,14H,4-6,8-9H2,1-3H3
InChIKeyPJUGHKAPVJBXMG-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
2,2,5,5-tetramethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 79927269
5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 79959217
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopentan-1-amine
CID 79856277
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 63238570
(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400183

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine (CID 79958007) is 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine is Cc1csc(CCNC2CSCC(C)(C)C2)n1.
What is the InChIKey of 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine?
The InChIKey is PJUGHKAPVJBXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-10-7-17-12(15-10)4-5-14-11-6-13(2,3)9-16-8-11/h7,11,14H,4-6,8-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine?
5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine has a molecular weight of 270.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 79958007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).