N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide

C12H17N3O2S — CID 39090374

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H17N3O2S/c16-10(6-5-9-2-1-7-17-9)13-12-15-14-11(18-12)8-3-4-8/h8-9H,1-7H2,(H,13,15,16)/t9-/m1/s1
InChIKeyOGKIKCFZZRPLQE-SECBINFHSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 39090374) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID39090374
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H17N3O2S/c16-10(6-5-9-2-1-7-17-9)13-12-15-14-11(18-12)8-3-4-8/h8-9H,1-7H2,(H,13,15,16)/t9-/m1/s1
InChIKeyOGKIKCFZZRPLQE-SECBINFHSA-N
XLogP2.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97015761
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42940880
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 97263465
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29412251

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide (CID 39090374) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide is O=C(CC[C@H]1CCCO1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is OGKIKCFZZRPLQE-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-10(6-5-9-2-1-7-17-9)13-12-15-14-11(18-12)8-3-4-8/h8-9H,1-7H2,(H,13,15,16)/t9-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 267.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 39090374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).