N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine

C8H10N2S — CID 170463696

IUPACN-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine
SMILESCNCCC#Cc1nccs1
InChIInChI=1S/C8H10N2S/c1-9-5-3-2-4-8-10-6-7-11-8/h6-7,9H,3,5H2,1H3
InChIKeyVILDHVSCXAITTA-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.10
Rot. Bonds2

About N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine

N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine (PubChem CID 170463696) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine
PubChem CID170463696
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine
SMILESCNCCC#Cc1nccs1
InChIInChI=1S/C8H10N2S/c1-9-5-3-2-4-8-10-6-7-11-8/h6-7,9H,3,5H2,1H3
InChIKeyVILDHVSCXAITTA-UHFFFAOYSA-N
XLogP1.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.10
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'}

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Related Compounds

N-methyl-4-(5-methyl-1,3-thiazol-2-yl)but-3-yn-1-amine
CID 170463717
[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol
CID 170463735
2-(1,3-thiazol-2-yl)ethynethiol
CID 147703090
4-(1,3-benzothiazol-2-yl)-N-methylbut-3-yn-1-amine
CID 170464451
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170464044
4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170465339
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
3,5-difluoro-4-[4-(methylamino)but-1-ynyl]phenol
CID 170464242
N-methyl-4-quinoxalin-2-ylbut-3-yn-1-amine
CID 170464484
1,3-thiazole-2-carbonitrile;hydrochloride
CID 162215282

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine?
The IUPAC name of N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine (CID 170463696) is N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine.
What is the SMILES notation for N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine?
The canonical SMILES for N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine is CNCCC#Cc1nccs1.
What is the InChIKey of N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine?
The InChIKey is VILDHVSCXAITTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-9-5-3-2-4-8-10-6-7-11-8/h6-7,9H,3,5H2,1H3.
What are the key properties of N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine?
N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine has a molecular weight of 166.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine is sourced from PubChem (CID 170463696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).