2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C16H26N4O2S — CID 122061336

IUPAC2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C)c1nnc(NC2CC(N(CC(=O)O)CC3CC3)C2)s1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)14-18-19-15(23-14)17-11-6-12(7-11)20(9-13(21)22)8-10-4-5-10/h10-12H,4-9H2,1-3H3,(H,17,19)(H,21,22)
InChIKeyCFCQRSYRQLZQRU-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.58
Rot. Bonds7

About 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122061336) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122061336
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C)c1nnc(NC2CC(N(CC(=O)O)CC3CC3)C2)s1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)14-18-19-15(23-14)17-11-6-12(7-11)20(9-13(21)22)8-10-4-5-10/h10-12H,4-9H2,1-3H3,(H,17,19)(H,21,22)
InChIKeyCFCQRSYRQLZQRU-UHFFFAOYSA-N
XLogP2.58
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122061336) is 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is CC(C)(C)c1nnc(NC2CC(N(CC(=O)O)CC3CC3)C2)s1.
What is the InChIKey of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is CFCQRSYRQLZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-16(2,3)14-18-19-15(23-14)17-11-6-12(7-11)20(9-13(21)22)8-10-4-5-10/h10-12H,4-9H2,1-3H3,(H,17,19)(H,21,22).
What are the key properties of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 338.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122061336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).