2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine

C15H20N2S2 — CID 63813301

IUPAC2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1Sc1nccs1
InChIInChI=1S/C15H20N2S2/c1-11-9-12(10-17-15(2,3)4)5-6-13(11)19-14-16-7-8-18-14/h5-9,17H,10H2,1-4H3
InChIKeyLHXDTSDSQMNOGF-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.49
Rot. Bonds4

About 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 63813301) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID63813301
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1Sc1nccs1
InChIInChI=1S/C15H20N2S2/c1-11-9-12(10-17-15(2,3)4)5-6-13(11)19-14-16-7-8-18-14/h5-9,17H,10H2,1-4H3
InChIKeyLHXDTSDSQMNOGF-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

CID 18525727
CID 18525727
CID 18525747
CID 18525747
CID 64483040
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CID 157978082
CID 157978082
CID 167199942
CID 167199942
CID 4777619
CID 4777619
CID 134908324
CID 134908324
CID 139261276
CID 139261276
CID 55040592
CID 55040592
CID 55137235
CID 55137235
CID 55174057
CID 55174057
CID 55238316
CID 55238316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine (CID 63813301) is 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)ccc1Sc1nccs1.
What is the InChIKey of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is LHXDTSDSQMNOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-11-9-12(10-17-15(2,3)4)5-6-13(11)19-14-16-7-8-18-14/h5-9,17H,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63813301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).