3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine

C9H10N4S2 — CID 65274563

IUPAC3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nc(CNc2nc(C3CC3)ns2)cs1
InChIInChI=1S/C9H10N4S2/c1-2-6(1)8-12-9(15-13-8)10-3-7-4-14-5-11-7/h4-6H,1-3H2,(H,10,12,13)
InChIKeyPKZOHQQOJZOLHP-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.48
Rot. Bonds4

About 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274563) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65274563
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nc(CNc2nc(C3CC3)ns2)cs1
InChIInChI=1S/C9H10N4S2/c1-2-6(1)8-12-9(15-13-8)10-3-7-4-14-5-11-7/h4-6H,1-3H2,(H,10,12,13)
InChIKeyPKZOHQQOJZOLHP-UHFFFAOYSA-N
XLogP2.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277152
3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 104577421
2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80959620
4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361684
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
3-cyclopropyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133429570
3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276713
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 127417891
3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 166196124
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65274563) is 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nc(CNc2nc(C3CC3)ns2)cs1.
What is the InChIKey of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PKZOHQQOJZOLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-2-6(1)8-12-9(15-13-8)10-3-7-4-14-5-11-7/h4-6H,1-3H2,(H,10,12,13).
What are the key properties of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 238.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).