N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 126857213

IUPACN-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CC2CCC2)n1
InChIInChI=1S/C9H15N3S/c1-7-10-9(13-11-7)12(2)6-8-4-3-5-8/h8H,3-6H2,1-2H3
InChIKeySBVGYBVGXQABLC-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.08
Rot. Bonds3

About N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126857213) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID126857213
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CC2CCC2)n1
InChIInChI=1S/C9H15N3S/c1-7-10-9(13-11-7)12(2)6-8-4-3-5-8/h8H,3-6H2,1-2H3
InChIKeySBVGYBVGXQABLC-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133320854
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79719273
N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 102874524
N-(2-bromoethyl)-N-cyclopropyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 80666803
N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 65273171
5-(aminomethyl)-N-(cyclobutylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510290
5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62854241
N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 80680145
4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 62856259
1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750312
4-chloro-5-(chloromethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 80688509

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 126857213) is N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C)CC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SBVGYBVGXQABLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-10-9(13-11-7)12(2)6-8-4-3-5-8/h8H,3-6H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126857213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).