N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide

C15H17N3OS2 — CID 75493656

IUPACN-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C15H17N3OS2/c1-10-13(21-15(20)17-10)8-14(19)18(12-2-3-12)9-11-4-6-16-7-5-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyYKVGCTUOOVLLEZ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.24
Rot. Bonds5

About N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide

N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 75493656) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID75493656
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC NameN-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C15H17N3OS2/c1-10-13(21-15(20)17-10)8-14(19)18(12-2-3-12)9-11-4-6-16-7-5-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyYKVGCTUOOVLLEZ-UHFFFAOYSA-N
XLogP3.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 92597147
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 75493656) is N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1[nH]c(=S)sc1CC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is YKVGCTUOOVLLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-10-13(21-15(20)17-10)8-14(19)18(12-2-3-12)9-11-4-6-16-7-5-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 319.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 75493656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).