N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C11H12ClN3S2 — CID 65277160

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S2/c1-6(8-4-5-9(12)16-8)13-11-14-10(15-17-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyTYGMPGXMXGIRQQ-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277160) has the molecular formula C11H12ClN3S2 and a molecular weight of 285.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65277160
Molecular FormulaC11H12ClN3S2
Molecular Weight285.83 g/mol
Exact Mass285.02
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3S2/c1-6(8-4-5-9(12)16-8)13-11-14-10(15-17-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyTYGMPGXMXGIRQQ-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271478
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80961862
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736408
3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
3-cyclopropyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103946697
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65277160) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is TYGMPGXMXGIRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S2/c1-6(8-4-5-9(12)16-8)13-11-14-10(15-17-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 285.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).