N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H28N2S3 — CID 114369087

IUPACN-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(C2SCCSC2C)sc1CNC(C)C
InChIInChI=1S/C16H28N2S3/c1-10(2)8-13-14(9-17-11(3)4)21-16(18-13)15-12(5)19-6-7-20-15/h10-12,15,17H,6-9H2,1-5H3
InChIKeyNSVZPNHNINZUMU-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.75
Rot. Bonds6

About N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114369087) has the molecular formula C16H28N2S3 and a molecular weight of 344.62 g/mol. Its IUPAC name is N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114369087
Molecular FormulaC16H28N2S3
Molecular Weight344.62 g/mol
Exact Mass344.14
IUPAC NameN-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(C2SCCSC2C)sc1CNC(C)C
InChIInChI=1S/C16H28N2S3/c1-10(2)8-13-14(9-17-11(3)4)21-16(18-13)15-12(5)19-6-7-20-15/h10-12,15,17H,6-9H2,1-5H3
InChIKeyNSVZPNHNINZUMU-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368580
N-[[4-(2-methylpropyl)-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369110
N-[[4-ethyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842108
N-[[4-(2-methylpropyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369085
N-[[2-(1,4-dithian-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 113459676
N-[[2-(3-ethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365340
2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 115388735
N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369093
N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365463
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404
N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364221
N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103476500

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114369087) is N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)Cc1nc(C2SCCSC2C)sc1CNC(C)C.
What is the InChIKey of N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is NSVZPNHNINZUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S3/c1-10(2)8-13-14(9-17-11(3)4)21-16(18-13)15-12(5)19-6-7-20-15/h10-12,15,17H,6-9H2,1-5H3.
What are the key properties of N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 344.62 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114369087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).