3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride

C15H22ClN5OS — CID 120998386

IUPAC3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCl.Cn1cc(CCC(=O)Nc2ncc(C3CCNCC3)s2)cn1
InChIInChI=1S/C15H21N5OS.ClH/c1-20-10-11(8-18-20)2-3-14(21)19-15-17-9-13(22-15)12-4-6-16-7-5-12;/h8-10,12,16H,2-7H2,1H3,(H,17,19,21);1H
InChIKeyMJWVQCVKGGIZFW-UHFFFAOYSA-N
MW355.90 g/mol
LogP2.34
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride

3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride (PubChem CID 120998386) has the molecular formula C15H22ClN5OS and a molecular weight of 355.90 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
PubChem CID120998386
Molecular FormulaC15H22ClN5OS
Molecular Weight355.90 g/mol
Exact Mass355.12
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCl.Cn1cc(CCC(=O)Nc2ncc(C3CCNCC3)s2)cn1
InChIInChI=1S/C15H21N5OS.ClH/c1-20-10-11(8-18-20)2-3-14(21)19-15-17-9-13(22-15)12-4-6-16-7-5-12;/h8-10,12,16H,2-7H2,1H3,(H,17,19,21);1H
InChIKeyMJWVQCVKGGIZFW-UHFFFAOYSA-N
XLogP2.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.90
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998569
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35536420
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998243
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998638
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride (CID 120998386) is 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride is Cl.Cn1cc(CCC(=O)Nc2ncc(C3CCNCC3)s2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is MJWVQCVKGGIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS.ClH/c1-20-10-11(8-18-20)2-3-14(21)19-15-17-9-13(22-15)12-4-6-16-7-5-12;/h8-10,12,16H,2-7H2,1H3,(H,17,19,21);1H.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride?
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 355.90 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120998386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).