N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine

C11H13Cl2N3S2 — CID 107966964

IUPACN-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(-c2cc(Cl)sc2Cl)s1
InChIInChI=1S/C11H13Cl2N3S2/c1-6(2)4-14-5-9-15-16-11(18-9)7-3-8(12)17-10(7)13/h3,6,14H,4-5H2,1-2H3
InChIKeyAOBRUDPWZXMDLY-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.32
Rot. Bonds5

About N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107966964) has the molecular formula C11H13Cl2N3S2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107966964
Molecular FormulaC11H13Cl2N3S2
Molecular Weight322.29 g/mol
Exact Mass320.99
IUPAC NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(-c2cc(Cl)sc2Cl)s1
InChIInChI=1S/C11H13Cl2N3S2/c1-6(2)4-14-5-9-15-16-11(18-9)7-3-8(12)17-10(7)13/h3,6,14H,4-5H2,1-2H3
InChIKeyAOBRUDPWZXMDLY-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114083008
N-[[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81325227
N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 102885665
N-[1-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 114021897
N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558434
N'-[(2,5-dichlorothiophen-3-yl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114021220
N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 104673007
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80623383
N-[3-[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 81448764
6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
CID 65306195
N-[3-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 82877116
2-methyl-N-[[5-(1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623354

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 107966964) is N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnc(-c2cc(Cl)sc2Cl)s1.
What is the InChIKey of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AOBRUDPWZXMDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3S2/c1-6(2)4-14-5-9-15-16-11(18-9)7-3-8(12)17-10(7)13/h3,6,14H,4-5H2,1-2H3.
What are the key properties of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 322.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107966964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).