2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid

C11H17N5O4S — CID 106262181

IUPAC2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid
SMILESCC(C)Cc1nnc(NC(=O)NCC(=O)NCC(=O)O)s1
InChIInChI=1S/C11H17N5O4S/c1-6(2)3-8-15-16-11(21-8)14-10(20)13-4-7(17)12-5-9(18)19/h6H,3-5H2,1-2H3,(H,12,17)(H,18,19)(H2,13,14,16,20)
InChIKeyVUGVPMFXYUDUQB-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.06
Rot. Bonds7

About 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid

2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid (PubChem CID 106262181) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid
PubChem CID106262181
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid
SMILESCC(C)Cc1nnc(NC(=O)NCC(=O)NCC(=O)O)s1
InChIInChI=1S/C11H17N5O4S/c1-6(2)3-8-15-16-11(21-8)14-10(20)13-4-7(17)12-5-9(18)19/h6H,3-5H2,1-2H3,(H,12,17)(H,18,19)(H2,13,14,16,20)
InChIKeyVUGVPMFXYUDUQB-UHFFFAOYSA-N
XLogP0.06
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
CID 107642562
2-methyl-3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoic acid
CID 106262182
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]pentanoic acid
CID 106262242
(2R)-4-methyl-2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]pentanoic acid
CID 106262198
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
3,3-dimethyl-2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]butanoic acid
CID 106262263
1-(2,2-diethyl-4-hydroxybutyl)-3-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111521045
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
(Z)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 24836004
2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110459577

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid (CID 106262181) is 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid is CC(C)Cc1nnc(NC(=O)NCC(=O)NCC(=O)O)s1.
What is the InChIKey of 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is VUGVPMFXYUDUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-6(2)3-8-15-16-11(21-8)14-10(20)13-4-7(17)12-5-9(18)19/h6H,3-5H2,1-2H3,(H,12,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 315.36 g/mol, XLogP of 0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 106262181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).