4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine

C14H23N3O2S2 — CID 63917935

IUPAC4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCS(=O)(=O)C2)nc1C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-3-15-8-12-13(10-4-5-10)16-14(20-12)17(2)11-6-7-21(18,19)9-11/h10-11,15H,3-9H2,1-2H3
InChIKeyJKMWJCADHDDYRZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.75
Rot. Bonds6

About 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine

4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 63917935) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID63917935
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCS(=O)(=O)C2)nc1C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-3-15-8-12-13(10-4-5-10)16-14(20-12)17(2)11-6-7-21(18,19)9-11/h10-11,15H,3-9H2,1-2H3
InChIKeyJKMWJCADHDDYRZ-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117241
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977204
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765116
4-chloro-2-[(1,1-dioxothiolan-3-yl)-methylamino]-1,3-thiazole-5-carbaldehyde
CID 80687059
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63917628
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 80727798
N-[[4-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362534
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750457

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (CID 63917935) is 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)C2CCS(=O)(=O)C2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JKMWJCADHDDYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-15-8-12-13(10-4-5-10)16-14(20-12)17(2)11-6-7-21(18,19)9-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 329.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63917935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).