N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine

C11H16N2S — CID 115694172

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1cnc(C)s1
InChIInChI=1S/C11H16N2S/c1-3-4-5-6-7-12-8-11-9-13-10(2)14-11/h1,9,12H,4-8H2,2H3
InChIKeySRSYOJHHZWMTOF-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.34
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine (PubChem CID 115694172) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
PubChem CID115694172
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1cnc(C)s1
InChIInChI=1S/C11H16N2S/c1-3-4-5-6-7-12-8-11-9-13-10(2)14-11/h1,9,12H,4-8H2,2H3
InChIKeySRSYOJHHZWMTOF-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
CID 115732795
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694220
2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
CID 82682944
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
CID 106451759
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]hex-5-yn-1-amine
CID 106211610

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine (CID 115694172) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine is C#CCCCCNCc1cnc(C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine?
The InChIKey is SRSYOJHHZWMTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-4-5-6-7-12-8-11-9-13-10(2)14-11/h1,9,12H,4-8H2,2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine has a molecular weight of 208.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine is sourced from PubChem (CID 115694172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).