1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide

C12H17N5O2S2 — CID 106053393

IUPAC1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C12H17N5O2S2/c13-5-2-6-17-8-9(7-14-17)21(18,19)16-12-15-10-3-1-4-11(10)20-12/h7-8H,1-6,13H2,(H,15,16)
InChIKeyFEVQIAMBXJYQGP-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.98
Rot. Bonds6

About 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 106053393) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID106053393
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C12H17N5O2S2/c13-5-2-6-17-8-9(7-14-17)21(18,19)16-12-15-10-3-1-4-11(10)20-12/h7-8H,1-6,13H2,(H,15,16)
InChIKeyFEVQIAMBXJYQGP-UHFFFAOYSA-N
XLogP0.98
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

1-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 17376619
1-ethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 22201669
1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 75510351
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propyl-1H-pyrazole-5-sulfonamide
CID 129621728
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 129624559
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 20181748
1,3-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 22201622
1-ethyl-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 22201623
1-ethyl-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 22201624
1,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 22201625
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 35764666
1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 42282810

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide (CID 106053393) is 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide is NCCCn1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cn1.
What is the InChIKey of 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is FEVQIAMBXJYQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c13-5-2-6-17-8-9(7-14-17)21(18,19)16-12-15-10-3-1-4-11(10)20-12/h7-8H,1-6,13H2,(H,15,16).
What are the key properties of 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106053393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).