2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C18H27N3O3S — CID 11545107

IUPAC2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2nnc(CC3CC3)s2)CCCC1)C(=O)O
InChIInChI=1S/C18H27N3O3S/c1-2-5-13(15(22)23)11-18(8-3-4-9-18)16(24)19-17-21-20-14(25-17)10-12-6-7-12/h12-13H,2-11H2,1H3,(H,22,23)(H,19,21,24)
InChIKeyOQFRYNRNDUZGLA-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.88
Rot. Bonds9

About 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11545107) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11545107
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2nnc(CC3CC3)s2)CCCC1)C(=O)O
InChIInChI=1S/C18H27N3O3S/c1-2-5-13(15(22)23)11-18(8-3-4-9-18)16(24)19-17-21-20-14(25-17)10-12-6-7-12/h12-13H,2-11H2,1H3,(H,22,23)(H,19,21,24)
InChIKeyOQFRYNRNDUZGLA-UHFFFAOYSA-N
XLogP3.88
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11545107) is 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)Nc2nnc(CC3CC3)s2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is OQFRYNRNDUZGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-5-13(15(22)23)11-18(8-3-4-9-18)16(24)19-17-21-20-14(25-17)10-12-6-7-12/h12-13H,2-11H2,1H3,(H,22,23)(H,19,21,24).
What are the key properties of 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 365.50 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11545107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).