1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide

C13H20N4OS — CID 103365979

IUPAC1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2snc(N)c2C2CC2)C1
InChIInChI=1S/C13H20N4OS/c1-15-12(18)9-3-2-6-17(7-9)13-10(8-4-5-8)11(14)16-19-13/h8-9H,2-7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyQYQUTFWEIPXGEE-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.57
Rot. Bonds3

About 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide

1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103365979) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103365979
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2snc(N)c2C2CC2)C1
InChIInChI=1S/C13H20N4OS/c1-15-12(18)9-3-2-6-17(7-9)13-10(8-4-5-8)11(14)16-19-13/h8-9H,2-7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyQYQUTFWEIPXGEE-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361511
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide
CID 166605809
1-(4-chloro-1,2,5-thiadiazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103197464
4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365815
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198504

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide (CID 103365979) is 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2snc(N)c2C2CC2)C1.
What is the InChIKey of 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is QYQUTFWEIPXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-15-12(18)9-3-2-6-17(7-9)13-10(8-4-5-8)11(14)16-19-13/h8-9H,2-7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide?
1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103365979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).