1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine

C15H21N3S — CID 63838007

IUPAC1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
SMILESCc1ncsc1CN(C)CC(N)Cc1ccccc1
InChIInChI=1S/C15H21N3S/c1-12-15(19-11-17-12)10-18(2)9-14(16)8-13-6-4-3-5-7-13/h3-7,11,14H,8-10,16H2,1-2H3
InChIKeyJTDKNPMAEWGCFB-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.45
Rot. Bonds6

About 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine

1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine (PubChem CID 63838007) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
PubChem CID63838007
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
SMILESCc1ncsc1CN(C)CC(N)Cc1ccccc1
InChIInChI=1S/C15H21N3S/c1-12-15(19-11-17-12)10-18(2)9-14(16)8-13-6-4-3-5-7-13/h3-7,11,14H,8-10,16H2,1-2H3
InChIKeyJTDKNPMAEWGCFB-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119876567
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287870
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
1-N,2-dimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]heptane-1,6-diamine
CID 65296200
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015
1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 63843470
1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
CID 105084585
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 126441669
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine (CID 63838007) is 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine is Cc1ncsc1CN(C)CC(N)Cc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine?
The InChIKey is JTDKNPMAEWGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-15(19-11-17-12)10-18(2)9-14(16)8-13-6-4-3-5-7-13/h3-7,11,14H,8-10,16H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine?
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.45, 6 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-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 63838007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).