5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine

C11H13ClN4S — CID 80607038

IUPAC5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nnc(N)s1)Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN4S/c1-16(7-10-14-15-11(13)17-10)6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyNOTFSKVGOIEZGZ-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.41
Rot. Bonds4

About 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine

5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607038) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607038
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nnc(N)s1)Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN4S/c1-16(7-10-14-15-11(13)17-10)6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyNOTFSKVGOIEZGZ-UHFFFAOYSA-N
XLogP2.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-bromophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606807
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
CID 65348896
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750529
5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 78962039
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-nitroaniline
CID 62209688
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607038) is 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine is CN(Cc1nnc(N)s1)Cc1ccccc1Cl.
What is the InChIKey of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NOTFSKVGOIEZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-16(7-10-14-15-11(13)17-10)6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,15).
What are the key properties of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 268.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).