N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C15H26N2S2 — CID 114367975

IUPACN-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCSCc1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C15H26N2S2/c1-5-8-18-10-13-17-14(11-6-7-11)12(19-13)9-16-15(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyCAPUURCJQDMJBO-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.55
Rot. Bonds7

About N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114367975) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114367975
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC NameN-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCSCc1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C15H26N2S2/c1-5-8-18-10-13-17-14(11-6-7-11)12(19-13)9-16-15(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyCAPUURCJQDMJBO-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.55
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

5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
CID 82436791
N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368103
1-[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436801
N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368047
N-[[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436687
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 63916373
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
1-[2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367056
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63917133
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368059

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114367975) is N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCSCc1nc(C2CC2)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CAPUURCJQDMJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-5-8-18-10-13-17-14(11-6-7-11)12(19-13)9-16-15(2,3)4/h11,16H,5-10H2,1-4H3.
What are the key properties of N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114367975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).