N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C6H10IN3S — CID 134369257

IUPACN-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(I)C(C)C)s1
InChIInChI=1S/C6H10IN3S/c1-4(2)10(7)6-9-8-5(3)11-6/h4H,1-3H3
InChIKeyZDJAIOVPOQETHA-UHFFFAOYSA-N
MW283.14 g/mol
LogP2.41
Rot. Bonds2

About N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine

N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 134369257) has the molecular formula C6H10IN3S and a molecular weight of 283.14 g/mol. Its IUPAC name is N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID134369257
Molecular FormulaC6H10IN3S
Molecular Weight283.14 g/mol
Exact Mass282.96
IUPAC NameN-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(I)C(C)C)s1
InChIInChI=1S/C6H10IN3S/c1-4(2)10(7)6-9-8-5(3)11-6/h4H,1-3H3
InChIKeyZDJAIOVPOQETHA-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 134369257) is N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(I)C(C)C)s1.
What is the InChIKey of N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZDJAIOVPOQETHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3S/c1-4(2)10(7)6-9-8-5(3)11-6/h4H,1-3H3.
What are the key properties of N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 283.14 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 134369257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).