N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine

C8H14ClN3S — CID 4254257

IUPACN-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)(C)CCl)s1
InChIInChI=1S/C8H14ClN3S/c1-4-6-11-12-7(13-6)10-8(2,3)5-9/h4-5H2,1-3H3,(H,10,12)
InChIKeyYALGVTCWOXVCNR-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.53
Rot. Bonds4

About N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine

N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 4254257) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID4254257
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)(C)CCl)s1
InChIInChI=1S/C8H14ClN3S/c1-4-6-11-12-7(13-6)10-8(2,3)5-9/h4-5H2,1-3H3,(H,10,12)
InChIKeyYALGVTCWOXVCNR-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-1,1-dimethylethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)amine
CID 840571
N-(1-chloro-2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450297
N-(1,3-dichloro-2-methylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450343
N-(3-chloro-2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450371
N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 59843227
N,5-ditert-butyl-1,3,4-thiadiazol-2-amine
CID 59843275
N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine
CID 89228850
N-(1-chloro-2-methylpropan-2-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 3759710
(2-Chloro-tert-butyl)(5-propyl(1,3,4-thiadiazol-2-yl))amine
CID 4593130
5-tert-butyl-N-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 5167574
N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208630
N-(1-chloro-2-methylbutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208795

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 4254257) is N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)(C)CCl)s1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YALGVTCWOXVCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3S/c1-4-6-11-12-7(13-6)10-8(2,3)5-9/h4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 219.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4254257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).