5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine

C16H21N3OS — CID 62769279

IUPAC5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCN(CC1CCCO1)c1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C16H21N3OS/c1-19(11-13-8-5-9-20-13)16-18-15(14(10-17)21-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyRPNXBLHVMFAKRA-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.88
Rot. Bonds5

About 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 62769279) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID62769279
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCN(CC1CCCO1)c1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C16H21N3OS/c1-19(11-13-8-5-9-20-13)16-18-15(14(10-17)21-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyRPNXBLHVMFAKRA-UHFFFAOYSA-N
XLogP2.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81174268
N-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392795
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563
3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61430774
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 62764504
5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 62768298
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
N-methyl-4-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 671903
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine (CID 62769279) is 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine is CN(CC1CCCO1)c1nc(-c2ccccc2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is RPNXBLHVMFAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19(11-13-8-5-9-20-13)16-18-15(14(10-17)21-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62769279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).