N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide

C14H19N5O2S2 — CID 17392705

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide
SMILESC=CCNc1nnc(SC(CCC)C(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C14H19N5O2S2/c1-4-6-10(12(20)16-11-8-9(3)21-19-11)22-14-18-17-13(23-14)15-7-5-2/h5,8,10H,2,4,6-7H2,1,3H3,(H,15,17)(H,16,19,20)
InChIKeyALFKHSHPDRLNGP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.33
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide (PubChem CID 17392705) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide
PubChem CID17392705
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide
SMILESC=CCNc1nnc(SC(CCC)C(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C14H19N5O2S2/c1-4-6-10(12(20)16-11-8-9(3)21-19-11)22-14-18-17-13(23-14)15-7-5-2/h5,8,10H,2,4,6-7H2,1,3H3,(H,15,17)(H,16,19,20)
InChIKeyALFKHSHPDRLNGP-UHFFFAOYSA-N
XLogP3.33
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
CID 46645201
N-(3-methyl-1,2-oxazol-5-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51321751
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24629114
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2R)-1-(4-methylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7797648
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 784165
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797066
(2S)-N-(2-methoxy-5-methylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8573764
(2R)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9487495
N-(2,4-difluorophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51236039
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7797123

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide (CID 17392705) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide is C=CCNc1nnc(SC(CCC)C(=O)Nc2cc(C)on2)s1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide?
The InChIKey is ALFKHSHPDRLNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c1-4-6-10(12(20)16-11-8-9(3)21-19-11)22-14-18-17-13(23-14)15-7-5-2/h5,8,10H,2,4,6-7H2,1,3H3,(H,15,17)(H,16,19,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide has a molecular weight of 353.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide is sourced from PubChem (CID 17392705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).