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

C12H18N4OS2 — CID 103361356

IUPAC5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCc1nc(CN(C)c2snc(N)c2OC(C)C)cs1
InChIInChI=1S/C12H18N4OS2/c1-7(2)17-10-11(13)15-19-12(10)16(4)5-9-6-18-8(3)14-9/h6-7H,5H2,1-4H3,(H2,13,15)
InChIKeyXIJOPXLWYWHAEO-UHFFFAOYSA-N
MW298.44 g/mol
LogP2.91
Rot. Bonds5

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

5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103361356) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103361356
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC Name5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCc1nc(CN(C)c2snc(N)c2OC(C)C)cs1
InChIInChI=1S/C12H18N4OS2/c1-7(2)17-10-11(13)15-19-12(10)16(4)5-9-6-18-8(3)14-9/h6-7H,5H2,1-4H3,(H2,13,15)
InChIKeyXIJOPXLWYWHAEO-UHFFFAOYSA-N
XLogP2.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380339
5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361936
5-N-(2-methoxyethyl)-5-N-methyl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361756
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
5-N,5-N-bis(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360688
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103362501
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982705
3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-5-propan-2-yloxy-1,3,4-thiadiazole-2-thione
CID 47453476
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 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) is 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is Cc1nc(CN(C)c2snc(N)c2OC(C)C)cs1.
What is the InChIKey of 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is XIJOPXLWYWHAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c1-7(2)17-10-11(13)15-19-12(10)16(4)5-9-6-18-8(3)14-9/h6-7H,5H2,1-4H3,(H2,13,15).
What are the key properties of 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 298.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).