N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

C14H14N4S2 — CID 133484583

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCc1cnc(CNc2nc(-c3ccccc3)ns2)s1
InChIInChI=1S/C14H14N4S2/c1-2-11-8-15-12(19-11)9-16-14-17-13(18-20-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17,18)
InChIKeyRYVKNNKHRUBHSP-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.84
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133484583) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133484583
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCc1cnc(CNc2nc(-c3ccccc3)ns2)s1
InChIInChI=1S/C14H14N4S2/c1-2-11-8-15-12(19-11)9-16-14-17-13(18-20-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17,18)
InChIKeyRYVKNNKHRUBHSP-UHFFFAOYSA-N
XLogP3.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952782
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702011
N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133317329
N-[[4-(dimethylamino)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875112
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 100665927
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107095635
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133326062
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875113
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133459895

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133484583) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is CCc1cnc(CNc2nc(-c3ccccc3)ns2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RYVKNNKHRUBHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-2-11-8-15-12(19-11)9-16-14-17-13(18-20-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17,18).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 302.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133484583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).