N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C15H20N4OS2 — CID 120899451

IUPACN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3cnc(N)s3)CC2)s1
InChIInChI=1S/C15H20N4OS2/c1-10-2-3-13(21-10)14(20)18-11-4-6-19(7-5-11)9-12-8-17-15(16)22-12/h2-3,8,11H,4-7,9H2,1H3,(H2,16,17)(H,18,20)
InChIKeyIKBRMTFMRBVGBB-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.49
Rot. Bonds4

About N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 120899451) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID120899451
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3cnc(N)s3)CC2)s1
InChIInChI=1S/C15H20N4OS2/c1-10-2-3-13(21-10)14(20)18-11-4-6-19(7-5-11)9-12-8-17-15(16)22-12/h2-3,8,11H,4-7,9H2,1H3,(H2,16,17)(H,18,20)
InChIKeyIKBRMTFMRBVGBB-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 120898400
N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 75470831
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 111332774
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120902824
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
5-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133469263
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432414

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 120899451) is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(Cc3cnc(N)s3)CC2)s1.
What is the InChIKey of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is IKBRMTFMRBVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-10-2-3-13(21-10)14(20)18-11-4-6-19(7-5-11)9-12-8-17-15(16)22-12/h2-3,8,11H,4-7,9H2,1H3,(H2,16,17)(H,18,20).
What are the key properties of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 120899451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).