N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine

C8H14ClN3S — CID 43625556

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1nnsc1Cl
InChIInChI=1S/C8H14ClN3S/c1-6(2)4-12(3)5-7-8(9)13-11-10-7/h6H,4-5H2,1-3H3
InChIKeyNJFPWWNVGSNXAC-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.28
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine (PubChem CID 43625556) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine
PubChem CID43625556
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1nnsc1Cl
InChIInChI=1S/C8H14ClN3S/c1-6(2)4-12(3)5-7-8(9)13-11-10-7/h6H,4-5H2,1-3H3
InChIKeyNJFPWWNVGSNXAC-UHFFFAOYSA-N
XLogP2.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpentan-3-amine
CID 43423611
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide
CID 43625562
1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013669
N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63983809
1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916389
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
3-[(5-chlorothiadiazol-4-yl)methyl-methylamino]butanenitrile
CID 63225612
methyl 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetate
CID 60691499
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207534
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 60699719
2-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(4-fluorophenyl)ethanol
CID 111432053
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 86983931

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine (CID 43625556) is N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is NJFPWWNVGSNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3S/c1-6(2)4-12(3)5-7-8(9)13-11-10-7/h6H,4-5H2,1-3H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 219.74 g/mol, XLogP of 2.28, 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-dimethylpropan-1-amine is sourced from PubChem (CID 43625556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).