N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine

C13H14N4S — CID 113442432

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESCn1nccc1CCNc1nccc2sccc12
InChIInChI=1S/C13H14N4S/c1-17-10(3-8-16-17)2-6-14-13-11-5-9-18-12(11)4-7-15-13/h3-5,7-9H,2,6H2,1H3,(H,14,15)
InChIKeyVCEQKXVMHBSZMS-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 113442432) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine
PubChem CID113442432
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESCn1nccc1CCNc1nccc2sccc12
InChIInChI=1S/C13H14N4S/c1-17-10(3-8-16-17)2-6-14-13-11-5-9-18-12(11)4-7-15-13/h3-5,7-9H,2,6H2,1H3,(H,14,15)
InChIKeyVCEQKXVMHBSZMS-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 112730428
N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
CID 115628494
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 83029559
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126
1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
CID 115585976
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine (CID 113442432) is N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine is Cn1nccc1CCNc1nccc2sccc12.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is VCEQKXVMHBSZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-17-10(3-8-16-17)2-6-14-13-11-5-9-18-12(11)4-7-15-13/h3-5,7-9H,2,6H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 258.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 113442432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).