1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine

C15H21N3S — CID 62487917

IUPAC1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
SMILESCc1nc(CN(C)CC(C)(N)c2ccccc2)cs1
InChIInChI=1S/C15H21N3S/c1-12-17-14(10-19-12)9-18(3)11-15(2,16)13-7-5-4-6-8-13/h4-8,10H,9,11,16H2,1-3H3
InChIKeyXNUVYGLFHHWNEM-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.76
Rot. Bonds5

About 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine

1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine (PubChem CID 62487917) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
PubChem CID62487917
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
SMILESCc1nc(CN(C)CC(C)(N)c2ccccc2)cs1
InChIInChI=1S/C15H21N3S/c1-12-17-14(10-19-12)9-18(3)11-15(2,16)13-7-5-4-6-8-13/h4-8,10H,9,11,16H2,1-3H3
InChIKeyXNUVYGLFHHWNEM-UHFFFAOYSA-N
XLogP2.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62255905
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 71883940
1-N,5,5-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]hexane-1,3-diamine
CID 113497174
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287796
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide
CID 146146044

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine (CID 62487917) is 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine is Cc1nc(CN(C)CC(C)(N)c2ccccc2)cs1.
What is the InChIKey of 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine?
The InChIKey is XNUVYGLFHHWNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-17-14(10-19-12)9-18(3)11-15(2,16)13-7-5-4-6-8-13/h4-8,10H,9,11,16H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine?
1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62487917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).