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

C7H8ClN5S — CID 130747546

IUPAC5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1[nH]ncc1CNc1nnc(Cl)s1
InChIInChI=1S/C7H8ClN5S/c1-4-5(3-10-11-4)2-9-7-13-12-6(8)14-7/h3H,2H2,1H3,(H,9,13)(H,10,11)
InChIKeySNHDVXNJOOYUSG-UHFFFAOYSA-N
MW229.70 g/mol
LogP1.84
Rot. Bonds3

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

5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130747546) has the molecular formula C7H8ClN5S and a molecular weight of 229.70 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID130747546
Molecular FormulaC7H8ClN5S
Molecular Weight229.70 g/mol
Exact Mass229.02
IUPAC Name5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1[nH]ncc1CNc1nnc(Cl)s1
InChIInChI=1S/C7H8ClN5S/c1-4-5(3-10-11-4)2-9-7-13-12-6(8)14-7/h3H,2H2,1H3,(H,9,13)(H,10,11)
InChIKeySNHDVXNJOOYUSG-UHFFFAOYSA-N
XLogP1.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.70
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106595281
2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304769
3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79839401
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619552
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033
N-benzyl-5-chloro-1,3,4-thiadiazol-2-amine
CID 75446200
5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 105362468
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 62133116
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]tetrazol-5-amine
CID 63152369
2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 106193343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 130747546) is 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1[nH]ncc1CNc1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SNHDVXNJOOYUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5S/c1-4-5(3-10-11-4)2-9-7-13-12-6(8)14-7/h3H,2H2,1H3,(H,9,13)(H,10,11).
What are the key properties of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 229.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130747546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).