1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine

C15H18N4S3 — CID 130303677

IUPAC1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine
SMILESNC(Cc1cncs1)C(CCc1cncs1)Cc1cncs1
InChIInChI=1S/C15H18N4S3/c16-15(4-14-7-19-10-22-14)11(3-13-6-18-9-21-13)1-2-12-5-17-8-20-12/h5-11,15H,1-4,16H2
InChIKeyPEXMMRBNFBEFMA-UHFFFAOYSA-N
MW350.54 g/mol
LogP3.42
Rot. Bonds8

About 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine

1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine (PubChem CID 130303677) has the molecular formula C15H18N4S3 and a molecular weight of 350.54 g/mol. Its IUPAC name is 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine
PubChem CID130303677
Molecular FormulaC15H18N4S3
Molecular Weight350.54 g/mol
Exact Mass350.07
IUPAC Name1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine
SMILESNC(Cc1cncs1)C(CCc1cncs1)Cc1cncs1
InChIInChI=1S/C15H18N4S3/c16-15(4-14-7-19-10-22-14)11(3-13-6-18-9-21-13)1-2-12-5-17-8-20-12/h5-11,15H,1-4,16H2
InChIKeyPEXMMRBNFBEFMA-UHFFFAOYSA-N
XLogP3.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
5-(3-bromo-4,4-dimethylpentyl)-1,3-thiazole
CID 112643843
1-(1,3-thiazol-5-yl)hexan-3-ol
CID 19417357
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
5-(4-chlorobutyl)-1,3-thiazole
CID 112644725
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
The IUPAC name of 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine (CID 130303677) is 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine.
What is the SMILES notation for 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
The canonical SMILES for 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine is NC(Cc1cncs1)C(CCc1cncs1)Cc1cncs1.
What is the InChIKey of 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
The InChIKey is PEXMMRBNFBEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S3/c16-15(4-14-7-19-10-22-14)11(3-13-6-18-9-21-13)1-2-12-5-17-8-20-12/h5-11,15H,1-4,16H2.
What are the key properties of 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine has a molecular weight of 350.54 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine is sourced from PubChem (CID 130303677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).