N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine

C16H23N5S — CID 95825745

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine
SMILESCc1csc(CCNc2ccc(CC3CCNCC3)nn2)n1
InChIInChI=1S/C16H23N5S/c1-12-11-22-16(19-12)6-9-18-15-3-2-14(20-21-15)10-13-4-7-17-8-5-13/h2-3,11,13,17H,4-10H2,1H3,(H,18,21)
InChIKeyVTEQEZZRLJUMDU-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine (PubChem CID 95825745) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine
PubChem CID95825745
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine
SMILESCc1csc(CCNc2ccc(CC3CCNCC3)nn2)n1
InChIInChI=1S/C16H23N5S/c1-12-11-22-16(19-12)6-9-18-15-3-2-14(20-21-15)10-13-4-7-17-8-5-13/h2-3,11,13,17H,4-10H2,1H3,(H,18,21)
InChIKeyVTEQEZZRLJUMDU-UHFFFAOYSA-N
XLogP2.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
CID 55027363
6-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pyridazin-3-amine
CID 116972216
N-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 95816766
2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80957330
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
CID 63241058
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827845
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine (CID 95825745) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine is Cc1csc(CCNc2ccc(CC3CCNCC3)nn2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
The InChIKey is VTEQEZZRLJUMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12-11-22-16(19-12)6-9-18-15-3-2-14(20-21-15)10-13-4-7-17-8-5-13/h2-3,11,13,17H,4-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine has a molecular weight of 317.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(piperidin-4-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 95825745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).