N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine

C11H20N2S2 — CID 61331155

IUPACN-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNC(CCSC)c1nc(C(C)C)cs1
InChIInChI=1S/C11H20N2S2/c1-8(2)10-7-15-11(13-10)9(12-3)5-6-14-4/h7-9,12H,5-6H2,1-4H3
InChIKeyBITLJZUAVHOYOV-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine

N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 61331155) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID61331155
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNC(CCSC)c1nc(C(C)C)cs1
InChIInChI=1S/C11H20N2S2/c1-8(2)10-7-15-11(13-10)9(12-3)5-6-14-4/h7-9,12H,5-6H2,1-4H3
InChIKeyBITLJZUAVHOYOV-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
CID 61330560
3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116504477
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622
1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61331753
N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
CID 61335272
5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
CID 58499202
4-methylsulfanyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 103089596
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105166846
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 61331155) is N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is CNC(CCSC)c1nc(C(C)C)cs1.
What is the InChIKey of N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is BITLJZUAVHOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-8(2)10-7-15-11(13-10)9(12-3)5-6-14-4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 244.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 61331155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).