3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide

C11H18N4O2S — CID 114110163

IUPAC3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC1CCOC(C)C1
InChIInChI=1S/C11H18N4O2S/c1-6-5-7(3-4-17-6)14-11-8(10(16)13-2)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyYRAGXTYTOKLIPZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 114110163) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
PubChem CID114110163
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC1CCOC(C)C1
InChIInChI=1S/C11H18N4O2S/c1-6-5-7(3-4-17-6)14-11-8(10(16)13-2)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyYRAGXTYTOKLIPZ-UHFFFAOYSA-N
XLogP1.06
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide (CID 114110163) is 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NC1CCOC(C)C1.
What is the InChIKey of 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is YRAGXTYTOKLIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-6-5-7(3-4-17-6)14-11-8(10(16)13-2)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114110163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).