N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C13H16N4OS — CID 164637842

IUPACN-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCc1cnc([C@H](C)NC(=O)c2cc3n(n2)CCC3)s1
InChIInChI=1S/C13H16N4OS/c1-8-7-14-13(19-8)9(2)15-12(18)11-6-10-4-3-5-17(10)16-11/h6-7,9H,3-5H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyPWIYLJPJPKUTBN-VIFPVBQESA-N
MW276.37 g/mol
LogP2.09
Rot. Bonds3

About N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 164637842) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID164637842
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCc1cnc([C@H](C)NC(=O)c2cc3n(n2)CCC3)s1
InChIInChI=1S/C13H16N4OS/c1-8-7-14-13(19-8)9(2)15-12(18)11-6-10-4-3-5-17(10)16-11/h6-7,9H,3-5H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyPWIYLJPJPKUTBN-VIFPVBQESA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
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5-methyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]-1,2-thiazole-3-carboxamide
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2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
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5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
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4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893000
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2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
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2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112702007
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 164637842) is N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is Cc1cnc([C@H](C)NC(=O)c2cc3n(n2)CCC3)s1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is PWIYLJPJPKUTBN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-7-14-13(19-8)9(2)15-12(18)11-6-10-4-3-5-17(10)16-11/h6-7,9H,3-5H2,1-2H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 164637842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).