2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

C13H21N5O2S — CID 75435699

IUPAC2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CN2CCC(NC(N)=O)C2)sc1C
InChIInChI=1S/C13H21N5O2S/c1-3-10-8(2)21-13(16-10)17-11(19)7-18-5-4-9(6-18)15-12(14)20/h9H,3-7H2,1-2H3,(H3,14,15,20)(H,16,17,19)
InChIKeyCPLOFAAQSZUOSV-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.70
Rot. Bonds5

About 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 75435699) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID75435699
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CN2CCC(NC(N)=O)C2)sc1C
InChIInChI=1S/C13H21N5O2S/c1-3-10-8(2)21-13(16-10)17-11(19)7-18-5-4-9(6-18)15-12(14)20/h9H,3-7H2,1-2H3,(H3,14,15,20)(H,16,17,19)
InChIKeyCPLOFAAQSZUOSV-UHFFFAOYSA-N
XLogP0.70
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60508249
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CID 99784840
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104524
2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60505092
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 61471909
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78886465
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide
CID 126796511
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627325
2-amino-N-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 54953528
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (CID 75435699) is 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(=O)CN2CCC(NC(N)=O)C2)sc1C.
What is the InChIKey of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CPLOFAAQSZUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-3-10-8(2)21-13(16-10)17-11(19)7-18-5-4-9(6-18)15-12(14)20/h9H,3-7H2,1-2H3,(H3,14,15,20)(H,16,17,19).
What are the key properties of 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75435699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).