N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide

C11H13N7OS2 — CID 144630567

IUPACN-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
SMILESN/C=N\c1nnc([C@@H]2CC[C@@H](c3nnc(NC=O)s3)C2)s1
InChIInChI=1S/C11H13N7OS2/c12-4-13-10-17-15-8(20-10)6-1-2-7(3-6)9-16-18-11(21-9)14-5-19/h4-7H,1-3H2,(H2,12,13,17)(H,14,18,19)/t6-,7-/m1/s1
InChIKeyQJMZOQKXVMNXTG-RNFRBKRXSA-N
MW323.41 g/mol
LogP1.63
Rot. Bonds5

About N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide

N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 144630567) has the molecular formula C11H13N7OS2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
PubChem CID144630567
Molecular FormulaC11H13N7OS2
Molecular Weight323.41 g/mol
Exact Mass323.06
IUPAC NameN-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
SMILESN/C=N\c1nnc([C@@H]2CC[C@@H](c3nnc(NC=O)s3)C2)s1
InChIInChI=1S/C11H13N7OS2/c12-4-13-10-17-15-8(20-10)6-1-2-7(3-6)9-16-18-11(21-9)14-5-19/h4-7H,1-3H2,(H2,12,13,17)(H,14,18,19)/t6-,7-/m1/s1
InChIKeyQJMZOQKXVMNXTG-RNFRBKRXSA-N
XLogP1.63
TPSA119.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide (CID 144630567) is N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide is N/C=N\c1nnc([C@@H]2CC[C@@H](c3nnc(NC=O)s3)C2)s1.
What is the InChIKey of N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is QJMZOQKXVMNXTG-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H13N7OS2/c12-4-13-10-17-15-8(20-10)6-1-2-7(3-6)9-16-18-11(21-9)14-5-19/h4-7H,1-3H2,(H2,12,13,17)(H,14,18,19)/t6-,7-/m1/s1.
What are the key properties of N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 323.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 144630567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).