N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C9H12ClN5S — CID 115924571

IUPACN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nn(C)c(Cl)c1CNc1nncs1
InChIInChI=1S/C9H12ClN5S/c1-3-7-6(8(10)15(2)14-7)4-11-9-13-12-5-16-9/h5H,3-4H2,1-2H3,(H,11,13)
InChIKeyPEMAZLFMPCCTAP-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.10
Rot. Bonds4

About N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 115924571) has the molecular formula C9H12ClN5S and a molecular weight of 257.75 g/mol. Its IUPAC name is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID115924571
Molecular FormulaC9H12ClN5S
Molecular Weight257.75 g/mol
Exact Mass257.05
IUPAC NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nn(C)c(Cl)c1CNc1nncs1
InChIInChI=1S/C9H12ClN5S/c1-3-7-6(8(10)15(2)14-7)4-11-9-13-12-5-16-9/h5H,3-4H2,1-2H3,(H,11,13)
InChIKeyPEMAZLFMPCCTAP-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130870036
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648818
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 115924571) is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nn(C)c(Cl)c1CNc1nncs1.
What is the InChIKey of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PEMAZLFMPCCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5S/c1-3-7-6(8(10)15(2)14-7)4-11-9-13-12-5-16-9/h5H,3-4H2,1-2H3,(H,11,13).
What are the key properties of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).