1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine

C13H20N2S — CID 63644001

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
SMILESC#CCCC(Cc1nc(C)cs1)NCCC
InChIInChI=1S/C13H20N2S/c1-4-6-7-12(14-8-5-2)9-13-15-11(3)10-16-13/h1,10,12,14H,5-9H2,2-3H3
InChIKeyBSSNNIFCJCBGJM-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.78
Rot. Bonds7

About 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine

1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine (PubChem CID 63644001) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
PubChem CID63644001
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
SMILESC#CCCC(Cc1nc(C)cs1)NCCC
InChIInChI=1S/C13H20N2S/c1-4-6-7-12(14-8-5-2)9-13-15-11(3)10-16-13/h1,10,12,14H,5-9H2,2-3H3
InChIKeyBSSNNIFCJCBGJM-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 115415642
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine (CID 63644001) is 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine is C#CCCC(Cc1nc(C)cs1)NCCC.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine?
The InChIKey is BSSNNIFCJCBGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-4-6-7-12(14-8-5-2)9-13-15-11(3)10-16-13/h1,10,12,14H,5-9H2,2-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine has a molecular weight of 236.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine is sourced from PubChem (CID 63644001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).