5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine

C13H18N4S — CID 106260917

IUPAC5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(C)c2ccccn2)s1
InChIInChI=1S/C13H18N4S/c1-9(2)8-12-16-17-13(18-12)15-10(3)11-6-4-5-7-14-11/h4-7,9-10H,8H2,1-3H3,(H,15,17)
InChIKeyXYPPUUOQWXZCQZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.30
Rot. Bonds5

About 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine

5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260917) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260917
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(C)c2ccccn2)s1
InChIInChI=1S/C13H18N4S/c1-9(2)8-12-16-17-13(18-12)15-10(3)11-6-4-5-7-14-11/h4-7,9-10H,8H2,1-3H3,(H,15,17)
InChIKeyXYPPUUOQWXZCQZ-UHFFFAOYSA-N
XLogP3.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260466
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260130
N-[1-(2,4-dimethylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260814
5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106260383
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
N-[1-(4-bromophenyl)propan-2-yl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260894
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
methyl 4-[5-[[(1R)-1-pyridin-2-ylethyl]carbamoylamino]-1,3,4-thiadiazol-2-yl]butanoate
CID 95633282
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 106260917) is 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC(C)c2ccccn2)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XYPPUUOQWXZCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)8-12-16-17-13(18-12)15-10(3)11-6-4-5-7-14-11/h4-7,9-10H,8H2,1-3H3,(H,15,17).
What are the key properties of 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).