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

C11H14N4S — CID 65268791

IUPACN-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(-c2ccccn2)ns1
InChIInChI=1S/C11H14N4S/c1-8(2)7-13-11-14-10(15-16-11)9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,14,15)
InChIKeyZYEKMQAWWPLPOT-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.67
Rot. Bonds4

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

N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268791) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268791
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(-c2ccccn2)ns1
InChIInChI=1S/C11H14N4S/c1-8(2)7-13-11-14-10(15-16-11)9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,14,15)
InChIKeyZYEKMQAWWPLPOT-UHFFFAOYSA-N
XLogP2.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine
CID 65269249
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 70975125
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 118077526
N-ethyl-3-quinolin-2-yl-1,2,4-thiadiazol-5-amine
CID 65268804
N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
CID 122555332
3-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66144994
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230307
CID 139150015
CID 139150015
N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 82741757
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 65268791) is N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(-c2ccccn2)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZYEKMQAWWPLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8(2)7-13-11-14-10(15-16-11)9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).