5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine

C16H21N3S — CID 62764504

IUPAC5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCN(C)c1nc(-c2ccccc2)c(CNC2CC2)s1
InChIInChI=1S/C16H21N3S/c1-3-19(2)16-18-15(12-7-5-4-6-8-12)14(20-16)11-17-13-9-10-13/h4-8,13,17H,3,9-11H2,1-2H3
InChIKeyHRQGYBAPJZBVON-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.52
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 62764504) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID62764504
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCN(C)c1nc(-c2ccccc2)c(CNC2CC2)s1
InChIInChI=1S/C16H21N3S/c1-3-19(2)16-18-15(12-7-5-4-6-8-12)14(20-16)11-17-13-9-10-13/h4-8,13,17H,3,9-11H2,1-2H3
InChIKeyHRQGYBAPJZBVON-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-Phenyl-5-tetradecyl-2-thiazolamine
CID 73234
N-methyl-4-phenylthiazol-2-amine
CID 824443
4-(4-Methylphenyl)-5-propyl-1,3-thiazol-2-amine
CID 799204
N-Ethyl-4-phenylthiazol-2-amine
CID 697115
4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 1229841
Allyl-(4-phenyl-thiazol-2-yl)-amine
CID 1796522

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine (CID 62764504) is 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine is CCN(C)c1nc(-c2ccccc2)c(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HRQGYBAPJZBVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-19(2)16-18-15(12-7-5-4-6-8-12)14(20-16)11-17-13-9-10-13/h4-8,13,17H,3,9-11H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62764504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).