N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine

C9H16N2S — CID 79823745

IUPACN-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCCNCCCc1nccs1
InChIInChI=1S/C9H16N2S/c1-2-5-10-6-3-4-9-11-7-8-12-9/h7-8,10H,2-6H2,1H3
InChIKeyNVKTWLPWOITIQL-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.08
Rot. Bonds6

About N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine

N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 79823745) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID79823745
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCCNCCCc1nccs1
InChIInChI=1S/C9H16N2S/c1-2-5-10-6-3-4-9-11-7-8-12-9/h7-8,10H,2-6H2,1H3
InChIKeyNVKTWLPWOITIQL-UHFFFAOYSA-N
XLogP2.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82102676
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837734
7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
CID 67464970
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 49460028
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160211
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine (CID 79823745) is N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine is CCCNCCCc1nccs1.
What is the InChIKey of N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is NVKTWLPWOITIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-5-10-6-3-4-9-11-7-8-12-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine?
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 79823745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).