N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine

C12H18N4OS — CID 114558347

IUPACN-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCCCn1nccc1-c1cnc(NCCOC)s1
InChIInChI=1S/C12H18N4OS/c1-3-7-16-10(4-5-15-16)11-9-14-12(18-11)13-6-8-17-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyBKMDHPFCPKEVST-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.47
Rot. Bonds7

About N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 114558347) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine
PubChem CID114558347
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCCCn1nccc1-c1cnc(NCCOC)s1
InChIInChI=1S/C12H18N4OS/c1-3-7-16-10(4-5-15-16)11-9-14-12(18-11)13-6-8-17-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyBKMDHPFCPKEVST-UHFFFAOYSA-N
XLogP2.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine (CID 114558347) is N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine is CCCn1nccc1-c1cnc(NCCOC)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BKMDHPFCPKEVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-7-16-10(4-5-15-16)11-9-14-12(18-11)13-6-8-17-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-propylpyrazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114558347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).