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

C10H18N2S2 — CID 61334807

IUPAC3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCSCCC(NC(C)C)c1nccs1
InChIInChI=1S/C10H18N2S2/c1-8(2)12-9(4-6-13-3)10-11-5-7-14-10/h5,7-9,12H,4,6H2,1-3H3
InChIKeyDDSIKCONNGCHPN-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.94
Rot. Bonds6

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

3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 61334807) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID61334807
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCSCCC(NC(C)C)c1nccs1
InChIInChI=1S/C10H18N2S2/c1-8(2)12-9(4-6-13-3)10-11-5-7-14-10/h5,7-9,12H,4,6H2,1-3H3
InChIKeyDDSIKCONNGCHPN-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine
CID 103089624
4-methylsulfanyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 103089596
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 83041635
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107269986
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
2-(1-iodoethyl)-1,3-thiazole
CID 89231680

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine (CID 61334807) is 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine is CSCCC(NC(C)C)c1nccs1.
What is the InChIKey of 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is DDSIKCONNGCHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8(2)12-9(4-6-13-3)10-11-5-7-14-10/h5,7-9,12H,4,6H2,1-3H3.
What are the key properties of 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 61334807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).