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

C17H24ClN3O2S — CID 120904564

IUPAC5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(CN(Cc2cnc(N)s2)CC2CC2)c(OC)c1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-21-14-6-5-13(16(7-14)22-2)10-20(9-12-3-4-12)11-15-8-19-17(18)23-15;/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,19);1H
InChIKeyPBGYQDLIGGOCGU-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.58
Rot. Bonds8

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

5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904564) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120904564
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(CN(Cc2cnc(N)s2)CC2CC2)c(OC)c1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-21-14-6-5-13(16(7-14)22-2)10-20(9-12-3-4-12)11-15-8-19-17(18)23-15;/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,19);1H
InChIKeyPBGYQDLIGGOCGU-UHFFFAOYSA-N
XLogP3.58
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904118
5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898371
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899012
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
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
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
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904564) is 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is COc1ccc(CN(Cc2cnc(N)s2)CC2CC2)c(OC)c1.Cl.
What is the InChIKey of 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is PBGYQDLIGGOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-21-14-6-5-13(16(7-14)22-2)10-20(9-12-3-4-12)11-15-8-19-17(18)23-15;/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,19);1H.
What are the key properties of 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).