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

C9H17N3S — CID 106155364

IUPAC2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
SMILESCC(CN)CCCNc1nccs1
InChIInChI=1S/C9H17N3S/c1-8(7-10)3-2-4-11-9-12-5-6-13-9/h5-6,8H,2-4,7,10H2,1H3,(H,11,12)
InChIKeyLHWUXYSJZVPUBJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.93
Rot. Bonds6

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

2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine (PubChem CID 106155364) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
PubChem CID106155364
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
SMILESCC(CN)CCCNc1nccs1
InChIInChI=1S/C9H17N3S/c1-8(7-10)3-2-4-11-9-12-5-6-13-9/h5-6,8H,2-4,7,10H2,1H3,(H,11,12)
InChIKeyLHWUXYSJZVPUBJ-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
4-[[(6S)-7-amino-6-methylheptyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 162073504
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
N-(3-chloro-4-methoxybutyl)-1,3-thiazol-2-amine
CID 106243006
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine (CID 106155364) is 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine is CC(CN)CCCNc1nccs1.
What is the InChIKey of 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
The InChIKey is LHWUXYSJZVPUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8(7-10)3-2-4-11-9-12-5-6-13-9/h5-6,8H,2-4,7,10H2,1H3,(H,11,12).
What are the key properties of 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine?
2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 106155364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).