[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C14H20N4O2S — CID 61175131

IUPAC[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1ncsc1C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H20N4O2S/c1-10-12(21-9-16-10)14(20)18-6-2-3-11(18)13(19)17-7-4-15-5-8-17/h9,11,15H,2-8H2,1H3
InChIKeyZSIJUYOWZWMGBK-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.49
Rot. Bonds2

About [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61175131) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61175131
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1ncsc1C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H20N4O2S/c1-10-12(21-9-16-10)14(20)18-6-2-3-11(18)13(19)17-7-4-15-5-8-17/h9,11,15H,2-8H2,1H3
InChIKeyZSIJUYOWZWMGBK-UHFFFAOYSA-N
XLogP0.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177812
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 65216605
benzyl (2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 95233594
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900616
(4-methyl-1,3-thiazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55167631

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61175131) is [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is Cc1ncsc1C(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is ZSIJUYOWZWMGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-12(21-9-16-10)14(20)18-6-2-3-11(18)13(19)17-7-4-15-5-8-17/h9,11,15H,2-8H2,1H3.
What are the key properties of [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 308.41 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61175131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).