N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide

C10H15N3OS — CID 42936586

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H15N3OS/c1-3-6(2)8(14)11-10-13-12-9(15-10)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)
InChIKeyMKIKWGCUHDWULN-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.40
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (PubChem CID 42936586) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
PubChem CID42936586
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H15N3OS/c1-3-6(2)8(14)11-10-13-12-9(15-10)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)
InChIKeyMKIKWGCUHDWULN-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 52593631
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
CID 86768814
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 79515533
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2667682
(2S)-2-(4-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8503003
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (CID 42936586) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The InChIKey is MKIKWGCUHDWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-3-6(2)8(14)11-10-13-12-9(15-10)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,13,14).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide has a molecular weight of 225.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 42936586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).