N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

C16H30N4S — CID 79381983

IUPACN'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(C)c1nc(N(C)CCCN(C)C)sc1CNC1CC1
InChIInChI=1S/C16H30N4S/c1-12(2)15-14(11-17-13-7-8-13)21-16(18-15)20(5)10-6-9-19(3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyALHKDZPIRVNGRP-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.91
Rot. Bonds9

About N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 79381983) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID79381983
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(C)c1nc(N(C)CCCN(C)C)sc1CNC1CC1
InChIInChI=1S/C16H30N4S/c1-12(2)15-14(11-17-13-7-8-13)21-16(18-15)20(5)10-6-9-19(3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyALHKDZPIRVNGRP-UHFFFAOYSA-N
XLogP2.91
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 79381983) is N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is CC(C)c1nc(N(C)CCCN(C)C)sc1CNC1CC1.
What is the InChIKey of N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is ALHKDZPIRVNGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-12(2)15-14(11-17-13-7-8-13)21-16(18-15)20(5)10-6-9-19(3)4/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 310.51 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79381983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).