3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride

C18H25Cl2N5O2S — CID 120578002

IUPAC3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCC1CCCCN1C(=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C18H23N5O2S.2ClH/c19-7-4-16(24)21-11-14-3-1-2-10-23(14)18(25)15-12-22-17(26-15)13-5-8-20-9-6-13;;/h5-6,8-9,12,14H,1-4,7,10-11,19H2,(H,21,24);2*1H
InChIKeyCLEWXSMIXOYYMD-UHFFFAOYSA-N
MW446.40 g/mol
LogP2.51
Rot. Bonds6

About 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride

3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride (PubChem CID 120578002) has the molecular formula C18H25Cl2N5O2S and a molecular weight of 446.40 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
PubChem CID120578002
Molecular FormulaC18H25Cl2N5O2S
Molecular Weight446.40 g/mol
Exact Mass445.11
IUPAC Name3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCC1CCCCN1C(=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C18H23N5O2S.2ClH/c19-7-4-16(24)21-11-14-3-1-2-10-23(14)18(25)15-12-22-17(26-15)13-5-8-20-9-6-13;;/h5-6,8-9,12,14H,1-4,7,10-11,19H2,(H,21,24);2*1H
InChIKeyCLEWXSMIXOYYMD-UHFFFAOYSA-N
XLogP2.51
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 119631252
3-amino-N-[[1-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578645
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578527
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314
[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119468293
3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911203
3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578898
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578315
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride (CID 120578002) is 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCC1CCCCN1C(=O)c1cnc(-c2ccncc2)s1.
What is the InChIKey of 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
The InChIKey is CLEWXSMIXOYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.2ClH/c19-7-4-16(24)21-11-14-3-1-2-10-23(14)18(25)15-12-22-17(26-15)13-5-8-20-9-6-13;;/h5-6,8-9,12,14H,1-4,7,10-11,19H2,(H,21,24);2*1H.
What are the key properties of 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride?
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride has a molecular weight of 446.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 120578002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).