N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine

C9H17N3S — CID 107207013

IUPACN'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
SMILESCN(CCCCCN)c1nccs1
InChIInChI=1S/C9H17N3S/c1-12(7-4-2-3-5-10)9-11-6-8-13-9/h6,8H,2-5,7,10H2,1H3
InChIKeyOGOQHALYLPELSI-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.71
Rot. Bonds6

About N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine

N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine (PubChem CID 107207013) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
PubChem CID107207013
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
SMILESCN(CCCCCN)c1nccs1
InChIInChI=1S/C9H17N3S/c1-12(7-4-2-3-5-10)9-11-6-8-13-9/h6,8H,2-5,7,10H2,1H3
InChIKeyOGOQHALYLPELSI-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.71
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

N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 69151207
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107206914
N-methyl-N-(2-piperidin-2-ylethyl)-1,3-thiazol-2-amine
CID 83839715
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
CID 62002474
3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107206954
1-ethyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethylsulfanyl]urea
CID 88767910
N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine (CID 107207013) is N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine is CN(CCCCCN)c1nccs1.
What is the InChIKey of N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
The InChIKey is OGOQHALYLPELSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-12(7-4-2-3-5-10)9-11-6-8-13-9/h6,8H,2-5,7,10H2,1H3.
What are the key properties of N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 107207013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).