N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide

C10H13N5O2S — CID 43819141

IUPACN-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCON(C)Cc1csc(NC(=O)n2ccnc2)n1
InChIInChI=1S/C10H13N5O2S/c1-14(17-2)5-8-6-18-9(12-8)13-10(16)15-4-3-11-7-15/h3-4,6-7H,5H2,1-2H3,(H,12,13,16)
InChIKeySKYHHGPMKSDDQQ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.41
Rot. Bonds4

About N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 43819141) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID43819141
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCON(C)Cc1csc(NC(=O)n2ccnc2)n1
InChIInChI=1S/C10H13N5O2S/c1-14(17-2)5-8-6-18-9(12-8)13-10(16)15-4-3-11-7-15/h3-4,6-7H,5H2,1-2H3,(H,12,13,16)
InChIKeySKYHHGPMKSDDQQ-UHFFFAOYSA-N
XLogP1.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 43819141) is N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is CON(C)Cc1csc(NC(=O)n2ccnc2)n1.
What is the InChIKey of N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is SKYHHGPMKSDDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-14(17-2)5-8-6-18-9(12-8)13-10(16)15-4-3-11-7-15/h3-4,6-7H,5H2,1-2H3,(H,12,13,16).
What are the key properties of N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 43819141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).