N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine

C9H16ClN3S — CID 63983809

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S/c1-5-9(2,3)13(4)6-7-8(10)14-12-11-7/h5-6H2,1-4H3
InChIKeyHZUOWDSGEIDCKQ-UHFFFAOYSA-N
MW233.77 g/mol
LogP2.81
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine (PubChem CID 63983809) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine
PubChem CID63983809
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S/c1-5-9(2,3)13(4)6-7-8(10)14-12-11-7/h5-6H2,1-4H3
InChIKeyHZUOWDSGEIDCKQ-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 94183920
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60890988
N-[(5-chlorothiadiazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61518000
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 61605739
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 61606018
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611826
N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine
CID 71868827
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
5-Chloro-4-[(4-methylpiperazin-1-yl)methyl]thiadiazole
CID 43408455

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine (CID 63983809) is N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is HZUOWDSGEIDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3S/c1-5-9(2,3)13(4)6-7-8(10)14-12-11-7/h5-6H2,1-4H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 233.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 63983809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).