N-(3-methyl-1,2-thiazol-5-yl)formamide

C5H6N2OS — CID 87388392

IUPACN-(3-methyl-1,2-thiazol-5-yl)formamide
SMILESCc1cc(NC=O)sn1
InChIInChI=1S/C5H6N2OS/c1-4-2-5(6-3-8)9-7-4/h2-3H,1H3,(H,6,8)
InChIKeyLLGWOUHMEPHBLZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.02
Rot. Bonds2

About N-(3-methyl-1,2-thiazol-5-yl)formamide

N-(3-methyl-1,2-thiazol-5-yl)formamide (PubChem CID 87388392) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)formamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)formamide
PubChem CID87388392
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)formamide
SMILESCc1cc(NC=O)sn1
InChIInChI=1S/C5H6N2OS/c1-4-2-5(6-3-8)9-7-4/h2-3H,1H3,(H,6,8)
InChIKeyLLGWOUHMEPHBLZ-UHFFFAOYSA-N
XLogP1.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetamide,n-(3-methyl-5-isothiazolyl)-
CID 266543
Isothiazole, 5-(2-(dimethylamino)acetamido)-3-methyl-
CID 56036
1-[(2S)-butan-2-yl]-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 95788850
N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine
CID 164584173
N-(3-methylisothiazol-5-yl)pivalamide
CID 45505574
3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine
CID 5061315
2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 126809598
1-Methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 10987297
(3-Methyl-1,2-thiazol-5-yl)urea
CID 18432878
(2-Methoxy-ethyl)-(3-methyl-isothiazol-5-yl)-amine
CID 19353659
5-Carbethoxyamino-3-methylisothiazole
CID 20501195
N-ethyl-3-methyl-1,2-thiazol-5-amine
CID 20699951

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)formamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)formamide (CID 87388392) is N-(3-methyl-1,2-thiazol-5-yl)formamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)formamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)formamide is Cc1cc(NC=O)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)formamide?
The InChIKey is LLGWOUHMEPHBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-4-2-5(6-3-8)9-7-4/h2-3H,1H3,(H,6,8).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)formamide?
N-(3-methyl-1,2-thiazol-5-yl)formamide has a molecular weight of 142.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)formamide is sourced from PubChem (CID 87388392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).