5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine

C16H21N3O2S — CID 120898371

IUPAC5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(CN(Cc2cnc(N)s2)C2CC2)c1
InChIInChI=1S/C16H21N3O2S/c1-20-13-5-6-15(21-2)11(7-13)9-19(12-3-4-12)10-14-8-18-16(17)22-14/h5-8,12H,3-4,9-10H2,1-2H3,(H2,17,18)
InChIKeySMIHIWHCBYKKIL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.91
Rot. Bonds7

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

5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120898371) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID120898371
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(CN(Cc2cnc(N)s2)C2CC2)c1
InChIInChI=1S/C16H21N3O2S/c1-20-13-5-6-15(21-2)11(7-13)9-19(12-3-4-12)10-14-8-18-16(17)22-14/h5-8,12H,3-4,9-10H2,1-2H3,(H2,17,18)
InChIKeySMIHIWHCBYKKIL-UHFFFAOYSA-N
XLogP2.91
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904118
5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
CID 120902643
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 134007205
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
N-[(2,5-dimethoxyphenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 47070103
N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 34980983
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
CID 43065807
2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
CID 79771274
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 120898371) is 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is COc1ccc(OC)c(CN(Cc2cnc(N)s2)C2CC2)c1.
What is the InChIKey of 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is SMIHIWHCBYKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-20-13-5-6-15(21-2)11(7-13)9-19(12-3-4-12)10-14-8-18-16(17)22-14/h5-8,12H,3-4,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).