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

C14H14N4S2 — CID 82431731

IUPAC4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(-c2cccnc2)sc1-c1csc(N)n1
InChIInChI=1S/C14H14N4S2/c1-2-4-10-12(11-8-19-14(15)18-11)20-13(17-10)9-5-3-6-16-7-9/h3,5-8H,2,4H2,1H3,(H2,15,18)
InChIKeyCPFWQRNUJDZBDX-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.86
Rot. Bonds4

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

4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82431731) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82431731
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(-c2cccnc2)sc1-c1csc(N)n1
InChIInChI=1S/C14H14N4S2/c1-2-4-10-12(11-8-19-14(15)18-11)20-13(17-10)9-5-3-6-16-7-9/h3,5-8H,2,4H2,1H3,(H2,15,18)
InChIKeyCPFWQRNUJDZBDX-UHFFFAOYSA-N
XLogP3.86
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64717713
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977

Frequently Asked Questions

What is the IUPAC name of 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82431731) is 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCCc1nc(-c2cccnc2)sc1-c1csc(N)n1.
What is the InChIKey of 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is CPFWQRNUJDZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-2-4-10-12(11-8-19-14(15)18-11)20-13(17-10)9-5-3-6-16-7-9/h3,5-8H,2,4H2,1H3,(H2,15,18).
What are the key properties of 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 302.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82431731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).