1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H12N2S — CID 4777619

IUPAC1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2nccs2)cc1
InChIInChI=1S/C11H12N2S/c1-2-4-10(5-3-1)8-12-9-11-13-6-7-14-11/h1-7,12H,8-9H2
InChIKeyUFWSEPMUQJPVBS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.43
Rot. Bonds4

About 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine

1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 4777619) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID4777619
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2nccs2)cc1
InChIInChI=1S/C11H12N2S/c1-2-4-10(5-3-1)8-12-9-11-13-6-7-14-11/h1-7,12H,8-9H2
InChIKeyUFWSEPMUQJPVBS-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960731
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937
1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58516398
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 91928127
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960350
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 4777619) is 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc(CNCc2nccs2)cc1.
What is the InChIKey of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is UFWSEPMUQJPVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-4-10(5-3-1)8-12-9-11-13-6-7-14-11/h1-7,12H,8-9H2.
What are the key properties of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 4777619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).