1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide

C12H21N5OS — CID 62177708

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCCNc1snnc1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21N5OS/c1-2-5-14-12-10(15-16-19-12)8-17-6-3-9(4-7-17)11(13)18/h9,14H,2-8H2,1H3,(H2,13,18)
InChIKeyBTUVKYQBKNUPTA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.06
Rot. Bonds6

About 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide

1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 62177708) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID62177708
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCCNc1snnc1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21N5OS/c1-2-5-14-12-10(15-16-19-12)8-17-6-3-9(4-7-17)11(13)18/h9,14H,2-8H2,1H3,(H2,13,18)
InChIKeyBTUVKYQBKNUPTA-UHFFFAOYSA-N
XLogP1.06
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531037
N-ethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531616
3-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 55044825
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
CID 55044915
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpiperidine-3-carboxamide
CID 55046128
2-[1-[[5-(Methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 55046237
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55046251
2-[Cyclopentyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046371
N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
CID 55046378
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide
CID 55046612
N-ethyl-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
CID 55046647

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide (CID 62177708) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide is CCCNc1snnc1CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BTUVKYQBKNUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-5-14-12-10(15-16-19-12)8-17-6-3-9(4-7-17)11(13)18/h9,14H,2-8H2,1H3,(H2,13,18).
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 62177708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).