N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine

C15H22N4S — CID 65270082

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccccc1CN)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H22N4S/c1-15(2,3)13-17-14(20-18-13)19(4)10-12-8-6-5-7-11(12)9-16/h5-8H,9-10,16H2,1-4H3
InChIKeySYRBXSAQXCHPQC-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.93
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine

N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65270082) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65270082
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccccc1CN)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H22N4S/c1-15(2,3)13-17-14(20-18-13)19(4)10-12-8-6-5-7-11(12)9-16/h5-8H,9-10,16H2,1-4H3
InChIKeySYRBXSAQXCHPQC-UHFFFAOYSA-N
XLogP2.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304498
3-tert-butyl-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133494696
3-tert-butyl-N-methyl-N-[(4-methylsulfinylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133494230
N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276186
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine
CID 103203879
N-[(3-aminophenyl)methyl]-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65276181
3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106642183
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270849
N-[[2-(aminomethyl)phenyl]methyl]-N,6-dimethylpyridazin-3-amine
CID 61313703
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 65270082) is N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine is CN(Cc1ccccc1CN)c1nc(C(C)(C)C)ns1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SYRBXSAQXCHPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-15(2,3)13-17-14(20-18-13)19(4)10-12-8-6-5-7-11(12)9-16/h5-8H,9-10,16H2,1-4H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 290.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).