N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide

C8H11N3OS — CID 67890597

IUPACN,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide
SMILESC=NCc1ncc(C(=O)N(C)C)s1
InChIInChI=1S/C8H11N3OS/c1-9-5-7-10-4-6(13-7)8(12)11(2)3/h4H,1,5H2,2-3H3
InChIKeyRFQVUPFYTALDHT-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.05
Rot. Bonds3

About N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide

N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 67890597) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide
PubChem CID67890597
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide
SMILESC=NCc1ncc(C(=O)N(C)C)s1
InChIInChI=1S/C8H11N3OS/c1-9-5-7-10-4-6(13-7)8(12)11(2)3/h4H,1,5H2,2-3H3
InChIKeyRFQVUPFYTALDHT-UHFFFAOYSA-N
XLogP1.05
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide (CID 67890597) is N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide is C=NCc1ncc(C(=O)N(C)C)s1.
What is the InChIKey of N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFQVUPFYTALDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-9-5-7-10-4-6(13-7)8(12)11(2)3/h4H,1,5H2,2-3H3.
What are the key properties of N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide?
N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67890597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).