5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C18H26ClN3O2S — CID 120904118

IUPAC5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(CN(Cc2cnc(N)s2)C(C)C2CC2)c(OC)c1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-12(13-4-5-13)21(11-16-9-20-18(19)24-16)10-14-6-7-15(22-2)8-17(14)23-3;/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,19,20);1H
InChIKeyHOCKMQFTPRPEBR-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.96
Rot. Bonds8

About 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904118) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120904118
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(CN(Cc2cnc(N)s2)C(C)C2CC2)c(OC)c1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-12(13-4-5-13)21(11-16-9-20-18(19)24-16)10-14-6-7-15(22-2)8-17(14)23-3;/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,19,20);1H
InChIKeyHOCKMQFTPRPEBR-UHFFFAOYSA-N
XLogP3.96
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904564
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771276
5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898371
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
3-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120904511
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120900910
1-(1-cyclobutylethyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]urea
CID 166343279
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylguanidine
CID 111514684

Frequently Asked Questions

What is the IUPAC name of 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904118) is 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is COc1ccc(CN(Cc2cnc(N)s2)C(C)C2CC2)c(OC)c1.Cl.
What is the InChIKey of 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is HOCKMQFTPRPEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-12(13-4-5-13)21(11-16-9-20-18(19)24-16)10-14-6-7-15(22-2)8-17(14)23-3;/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,19,20);1H.
What are the key properties of 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).