4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C11H18N4O2S — CID 116663308

IUPAC4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(C)CC2CCCO2)s1
InChIInChI=1S/C11H18N4O2S/c1-13-11-14-9(12)8(18-11)10(16)15(2)6-7-4-3-5-17-7/h7H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyDSVJYSUXYSOBIA-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.02
Rot. Bonds4

About 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116663308) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116663308
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(C)CC2CCCO2)s1
InChIInChI=1S/C11H18N4O2S/c1-13-11-14-9(12)8(18-11)10(16)15(2)6-7-4-3-5-17-7/h7H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyDSVJYSUXYSOBIA-UHFFFAOYSA-N
XLogP1.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(tert-butylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663310
4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663311
4-amino-N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671276
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615401
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116663308) is 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)N(C)CC2CCCO2)s1.
What is the InChIKey of 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DSVJYSUXYSOBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-13-11-14-9(12)8(18-11)10(16)15(2)6-7-4-3-5-17-7/h7H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).