N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

C10H15N3S2 — CID 103068689

IUPACN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1nc(C)ns1
InChIInChI=1S/C10H15N3S2/c1-7(5-11-9-3-4-9)6-14-10-12-8(2)13-15-10/h9,11H,1,3-6H2,2H3
InChIKeyXPKYNVYHFDCBDU-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103068689) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
PubChem CID103068689
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC NameN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1nc(C)ns1
InChIInChI=1S/C10H15N3S2/c1-7(5-11-9-3-4-9)6-14-10-12-8(2)13-15-10/h9,11H,1,3-6H2,2H3
InChIKeyXPKYNVYHFDCBDU-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068311
N-[2-[(4-methylphenyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068007
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole
CID 130493379
1-cyclopentyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 104755990
N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068619
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 103072428
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
2,3-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]butan-2-ol
CID 114496347
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
CID 65271895
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
CID 65272793

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine (CID 103068689) is N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CSc1nc(C)ns1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is XPKYNVYHFDCBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-7(5-11-9-3-4-9)6-14-10-12-8(2)13-15-10/h9,11H,1,3-6H2,2H3.
What are the key properties of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 241.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103068689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).