5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C15H21N3OS — CID 103361936

IUPAC5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCc1cccc(CN(C)c2snc(N)c2OC(C)C)c1
InChIInChI=1S/C15H21N3OS/c1-10(2)19-13-14(16)17-20-15(13)18(4)9-12-7-5-6-11(3)8-12/h5-8,10H,9H2,1-4H3,(H2,16,17)
InChIKeySLWDUIACWABKLJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.46
Rot. Bonds5

About 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103361936) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103361936
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCc1cccc(CN(C)c2snc(N)c2OC(C)C)c1
InChIInChI=1S/C15H21N3OS/c1-10(2)19-13-14(16)17-20-15(13)18(4)9-12-7-5-6-11(3)8-12/h5-8,10H,9H2,1-4H3,(H2,16,17)
InChIKeySLWDUIACWABKLJ-UHFFFAOYSA-N
XLogP3.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361356
5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103381362
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83004680
5-N,5-N-bis(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360688
ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476
5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361490
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103362501
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122827

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103361936) is 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is Cc1cccc(CN(C)c2snc(N)c2OC(C)C)c1.
What is the InChIKey of 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is SLWDUIACWABKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(2)19-13-14(16)17-20-15(13)18(4)9-12-7-5-6-11(3)8-12/h5-8,10H,9H2,1-4H3,(H2,16,17).
What are the key properties of 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).