1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine

C12H12N4S3 — CID 122628350

IUPAC1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
SMILESNC(c1cscn1)C(Cc1cscn1)c1cscn1
InChIInChI=1S/C12H12N4S3/c13-12(11-4-19-7-16-11)9(10-3-18-6-15-10)1-8-2-17-5-14-8/h2-7,9,12H,1,13H2
InChIKeyKBUIROLLSTYKRT-UHFFFAOYSA-N
MW308.46 g/mol
LogP3.08
Rot. Bonds5

About 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine

1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 122628350) has the molecular formula C12H12N4S3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
PubChem CID122628350
Molecular FormulaC12H12N4S3
Molecular Weight308.46 g/mol
Exact Mass308.02
IUPAC Name1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
SMILESNC(c1cscn1)C(Cc1cscn1)c1cscn1
InChIInChI=1S/C12H12N4S3/c13-12(11-4-19-7-16-11)9(10-3-18-6-15-10)1-8-2-17-5-14-8/h2-7,9,12H,1,13H2
InChIKeyKBUIROLLSTYKRT-UHFFFAOYSA-N
XLogP3.08
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
CID 131156691
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139092
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65018114
4-[2-(chloromethyl)pentyl]-1,3-thiazole
CID 66036568

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine (CID 122628350) is 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine is NC(c1cscn1)C(Cc1cscn1)c1cscn1.
What is the InChIKey of 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is KBUIROLLSTYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S3/c13-12(11-4-19-7-16-11)9(10-3-18-6-15-10)1-8-2-17-5-14-8/h2-7,9,12H,1,13H2.
What are the key properties of 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine?
1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 308.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 122628350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).