5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

C7H9N5S2 — CID 66280983

IUPAC5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCc1ncsc1CNc1nc(N)ns1
InChIInChI=1S/C7H9N5S2/c1-4-5(13-3-10-4)2-9-7-11-6(8)12-14-7/h3H,2H2,1H3,(H3,8,9,11,12)
InChIKeyRMRLDXHQSVKUCV-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.50
Rot. Bonds3

About 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280983) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280983
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCc1ncsc1CNc1nc(N)ns1
InChIInChI=1S/C7H9N5S2/c1-4-5(13-3-10-4)2-9-7-11-6(8)12-14-7/h3H,2H2,1H3,(H3,8,9,11,12)
InChIKeyRMRLDXHQSVKUCV-UHFFFAOYSA-N
XLogP1.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80829595
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine
CID 63280833
2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
CID 63280783
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361208
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66280983) is 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is Cc1ncsc1CNc1nc(N)ns1.
What is the InChIKey of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is RMRLDXHQSVKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-4-5(13-3-10-4)2-9-7-11-6(8)12-14-7/h3H,2H2,1H3,(H3,8,9,11,12).
What are the key properties of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 227.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).