2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol

C12H18N4OS2 — CID 103349800

IUPAC2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
SMILESCc1csc(-c2c(N)nsc2N(C)C(C)(C)CO)n1
InChIInChI=1S/C12H18N4OS2/c1-7-5-18-10(14-7)8-9(13)15-19-11(8)16(4)12(2,3)6-17/h5,17H,6H2,1-4H3,(H2,13,15)
InChIKeyONZRPYPPAHCNGQ-UHFFFAOYSA-N
MW298.44 g/mol
LogP2.36
Rot. Bonds4

About 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol

2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol (PubChem CID 103349800) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
PubChem CID103349800
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC Name2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
SMILESCc1csc(-c2c(N)nsc2N(C)C(C)(C)CO)n1
InChIInChI=1S/C12H18N4OS2/c1-7-5-18-10(14-7)8-9(13)15-19-11(8)16(4)12(2,3)6-17/h5,17H,6H2,1-4H3,(H2,13,15)
InChIKeyONZRPYPPAHCNGQ-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol with MolForge

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Related Compounds

5-N-methyl-5-N-(3-methylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349054
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide
CID 103349191
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103349079
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-propan-2-yloxyethyl)-1,2-thiazole-3,5-diamine
CID 103349665
5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349244
5-N-methyl-5-N-(4-methylsulfanylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349822
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349675
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
5-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]pentan-1-ol
CID 107324532
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol (CID 103349800) is 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol is Cc1csc(-c2c(N)nsc2N(C)C(C)(C)CO)n1.
What is the InChIKey of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is ONZRPYPPAHCNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c1-7-5-18-10(14-7)8-9(13)15-19-11(8)16(4)12(2,3)6-17/h5,17H,6H2,1-4H3,(H2,13,15).
What are the key properties of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol?
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol has a molecular weight of 298.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 103349800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).