N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C13H13N3S3 — CID 82424494

IUPACN-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(-c3cccs3)s2)cs1
InChIInChI=1S/C13H13N3S3/c1-2-5-14-13-16-9(8-18-13)11-7-15-12(19-11)10-4-3-6-17-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)
InChIKeyLXSNIEXUYQMXOW-UHFFFAOYSA-N
MW307.47 g/mol
LogP4.82
Rot. Bonds5

About N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82424494) has the molecular formula C13H13N3S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82424494
Molecular FormulaC13H13N3S3
Molecular Weight307.47 g/mol
Exact Mass307.03
IUPAC NameN-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(-c3cccs3)s2)cs1
InChIInChI=1S/C13H13N3S3/c1-2-5-14-13-16-9(8-18-13)11-7-15-12(19-11)10-4-3-6-17-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)
InChIKeyLXSNIEXUYQMXOW-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424491
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82514661
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82423690
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423655
4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82424450
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 60676021
N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
CID 65268420
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82424494) is N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCCNc1nc(-c2cnc(-c3cccs3)s2)cs1.
What is the InChIKey of N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is LXSNIEXUYQMXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S3/c1-2-5-14-13-16-9(8-18-13)11-7-15-12(19-11)10-4-3-6-17-10/h3-4,6-8H,2,5H2,1H3,(H,14,16).
What are the key properties of N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 307.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82424494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).