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

C14H24N2S3 — CID 115388735

IUPAC2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2SCCSC2C)sc1CNC(C)(C)C
InChIInChI=1S/C14H24N2S3/c1-9-11(8-15-14(3,4)5)19-13(16-9)12-10(2)17-6-7-18-12/h10,12,15H,6-8H2,1-5H3
InChIKeyPUQRBWMDYNCKLB-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.25
Rot. Bonds3

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

2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 115388735) has the molecular formula C14H24N2S3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID115388735
Molecular FormulaC14H24N2S3
Molecular Weight316.56 g/mol
Exact Mass316.11
IUPAC Name2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2SCCSC2C)sc1CNC(C)(C)C
InChIInChI=1S/C14H24N2S3/c1-9-11(8-15-14(3,4)5)19-13(16-9)12-10(2)17-6-7-18-12/h10,12,15H,6-8H2,1-5H3
InChIKeyPUQRBWMDYNCKLB-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-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]propan-2-amine
CID 114369087
N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368580
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
N-[[4-ethyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842108
N-[[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763985
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
N-[[2-(1-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730581
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103346715
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464653
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 115388735) is 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(C2SCCSC2C)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is PUQRBWMDYNCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S3/c1-9-11(8-15-14(3,4)5)19-13(16-9)12-10(2)17-6-7-18-12/h10,12,15H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 316.56 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 115388735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).