5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H20ClN3S — CID 120898694

IUPAC5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C1CC1)N(Cc1cnc(N)s1)C1CC1.Cl
InChIInChI=1S/C12H19N3S.ClH/c1-8(9-2-3-9)15(10-4-5-10)7-11-6-14-12(13)16-11;/h6,8-10H,2-5,7H2,1H3,(H2,13,14);1H
InChIKeyOXRMNHWRRYNFDP-UHFFFAOYSA-N
MW273.83 g/mol
LogP2.91
Rot. Bonds5

About 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898694) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898694
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC Name5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C1CC1)N(Cc1cnc(N)s1)C1CC1.Cl
InChIInChI=1S/C12H19N3S.ClH/c1-8(9-2-3-9)15(10-4-5-10)7-11-6-14-12(13)16-11;/h6,8-10H,2-5,7H2,1H3,(H2,13,14);1H
InChIKeyOXRMNHWRRYNFDP-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903532
5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
CID 120898978
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771276
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904118
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
CID 120902091
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 79765083
N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine
CID 99595371

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898694) is 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C1CC1)N(Cc1cnc(N)s1)C1CC1.Cl.
What is the InChIKey of 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OXRMNHWRRYNFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S.ClH/c1-8(9-2-3-9)15(10-4-5-10)7-11-6-14-12(13)16-11;/h6,8-10H,2-5,7H2,1H3,(H2,13,14);1H.
What are the key properties of 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).