N-propyl-N-(2H-1,3-thiazol-3-yl)formamide

C7H12N2OS — CID 123622573

IUPACN-propyl-N-(2H-1,3-thiazol-3-yl)formamide
SMILESCCCN(C=O)N1C=CSC1
InChIInChI=1S/C7H12N2OS/c1-2-3-8(6-10)9-4-5-11-7-9/h4-6H,2-3,7H2,1H3
InChIKeyVBPOVWPPAAPKKV-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.25
Rot. Bonds4

About N-propyl-N-(2H-1,3-thiazol-3-yl)formamide

N-propyl-N-(2H-1,3-thiazol-3-yl)formamide (PubChem CID 123622573) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-propyl-N-(2H-1,3-thiazol-3-yl)formamide.

Molecular Properties

Compound NameN-propyl-N-(2H-1,3-thiazol-3-yl)formamide
PubChem CID123622573
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-propyl-N-(2H-1,3-thiazol-3-yl)formamide
SMILESCCCN(C=O)N1C=CSC1
InChIInChI=1S/C7H12N2OS/c1-2-3-8(6-10)9-4-5-11-7-9/h4-6H,2-3,7H2,1H3
InChIKeyVBPOVWPPAAPKKV-UHFFFAOYSA-N
XLogP1.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2H-1,3-thiazol-3-yl)formamide?
The IUPAC name of N-propyl-N-(2H-1,3-thiazol-3-yl)formamide (CID 123622573) is N-propyl-N-(2H-1,3-thiazol-3-yl)formamide.
What is the SMILES notation for N-propyl-N-(2H-1,3-thiazol-3-yl)formamide?
The canonical SMILES for N-propyl-N-(2H-1,3-thiazol-3-yl)formamide is CCCN(C=O)N1C=CSC1.
What is the InChIKey of N-propyl-N-(2H-1,3-thiazol-3-yl)formamide?
The InChIKey is VBPOVWPPAAPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-3-8(6-10)9-4-5-11-7-9/h4-6H,2-3,7H2,1H3.
What are the key properties of N-propyl-N-(2H-1,3-thiazol-3-yl)formamide?
N-propyl-N-(2H-1,3-thiazol-3-yl)formamide has a molecular weight of 172.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2H-1,3-thiazol-3-yl)formamide is sourced from PubChem (CID 123622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).