N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide

C7H10N2OS — CID 64992231

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
SMILESCc1ncsc1CN(C)C=O
InChIInChI=1S/C7H10N2OS/c1-6-7(11-4-8-6)3-9(2)5-10/h4-5H,3H2,1-2H3
InChIKeyLLZJWOFOTSADSW-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide (PubChem CID 64992231) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
PubChem CID64992231
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
SMILESCc1ncsc1CN(C)C=O
InChIInChI=1S/C7H10N2OS/c1-6-7(11-4-8-6)3-9(2)5-10/h4-5H,3H2,1-2H3
InChIKeyLLZJWOFOTSADSW-UHFFFAOYSA-N
XLogP1.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-ethyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]butanal
CID 63836658
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazole-4-carbaldehyde
CID 63839057
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-en-1-amine
CID 77051357
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
CID 63841451
4-bromo-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzaldehyde
CID 63836409
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide (CID 64992231) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide is Cc1ncsc1CN(C)C=O.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide?
The InChIKey is LLZJWOFOTSADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6-7(11-4-8-6)3-9(2)5-10/h4-5H,3H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide has a molecular weight of 170.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide is sourced from PubChem (CID 64992231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).