N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

C18H22N4O2S2 — CID 155872689

IUPACN-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCc1csc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H22N4O2S2/c1-12-10-14(26-11-12)15(23)22-7-4-18(5-8-22,16(24)20-13-2-3-13)21-17-19-6-9-25-17/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,21)(H,20,24)
InChIKeyXZGBOGIYGFYVAG-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155872689) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155872689
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCc1csc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H22N4O2S2/c1-12-10-14(26-11-12)15(23)22-7-4-18(5-8-22,16(24)20-13-2-3-13)21-17-19-6-9-25-17/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,21)(H,20,24)
InChIKeyXZGBOGIYGFYVAG-UHFFFAOYSA-N
XLogP2.88
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(6-methylpyridine-3-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873367
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872915
N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873343
N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874284
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)acetyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155858205
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873927
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110114466

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155872689) is N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is Cc1csc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is XZGBOGIYGFYVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-12-10-14(26-11-12)15(23)22-7-4-18(5-8-22,16(24)20-13-2-3-13)21-17-19-6-9-25-17/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,21)(H,20,24).
What are the key properties of N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155872689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).