5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine

C10H18N2S2 — CID 104923003

IUPAC5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
SMILESCSCCCCCNCc1nccs1
InChIInChI=1S/C10H18N2S2/c1-13-7-4-2-3-5-11-9-10-12-6-8-14-10/h6,8,11H,2-5,7,9H2,1H3
InChIKeyQBEXVUFOEMSEDI-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.77
Rot. Bonds8

About 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine

5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine (PubChem CID 104923003) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
PubChem CID104923003
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
SMILESCSCCCCCNCc1nccs1
InChIInChI=1S/C10H18N2S2/c1-13-7-4-2-3-5-11-9-10-12-6-8-14-10/h6,8,11H,2-5,7,9H2,1H3
InChIKeyQBEXVUFOEMSEDI-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
2-[(5-methylsulfanylpentylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136852752
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
CID 114125625
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine (CID 104923003) is 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine is CSCCCCCNCc1nccs1.
What is the InChIKey of 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
The InChIKey is QBEXVUFOEMSEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-13-7-4-2-3-5-11-9-10-12-6-8-14-10/h6,8,11H,2-5,7,9H2,1H3.
What are the key properties of 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 104923003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).